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Connectivity Search Results.

The InChI (the 'Query InChI') associated with the InChIKey 'KSMAGQUYOIHWFS' is...

InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
and consists of only a single component.

Connectivity layer ONLY as Query Key... appending '-UHFFFAOYSA-N' to Query Key
Query InChIKey = KSMAGQUYOIHWFS

     Query InChIKey = KSMAGQUYOIHWFS

(QUERY IMAGE OVERLAY)          

'55' records were retrieved...

For clarity, some columns are omitted, but may be toggled on/off...
Images Full InChI of the src_compound_id Matching InChI of the src_compound_id Matching InChI of the Query

Click here for a detailed Table Legend
The Criteria set in this query were... A:0, B:0, C:0, D:0, E:0, F:0, G:0.
Note that essentially the same query can be carried out using the web-services... https://www.ebi.ac.uk/unichem/rest/key_search/KSMAGQUYOIHWFS
Search terms and Sorted-by columns are highlighted.
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Column 1. 'Component Mapping Relationships (CMR)'.
The component mapping relationship between the Query InChI and the InChI assigned to the src_compound_id.
More information on Component Mappings...
Setting the 'C' variable on the Query page allows different Component Mappings to be used. Selecting the option '4' for C, allows all component mappings to be used.
CCode in Data tableComponent Mapping RelationshipDescription
0...matches......matches...The Query InChI matches the InChI assigned to the src_compound_id
1...matches cpts of......matches components of...The Query InChI matches a component of the InChI assigned to this src_compound_id.
2...has cpts matching......has components matching...A component of the Query InChI matches the InChI assigned to the src_compound_id
3...has cpts matching cpts of......has components matching components of...A component of the Query InChI matches a component of the InChI assigned to src_compound_id
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Column 4. 'src_compound_id'.
A hyperlink to the corresponding compound page in the source is given.
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Column 5. 'Asn', Assignment.
A flag to indicate whether the assignment status of this src_compound_id to its assigned InChI ('1' = 'Current', '0' = 'Obsolete'). By default, only 'Current' records will be retrieved, but setting criterion G to '1' in the original query will return 'Obsolete' as well.
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Column 6. 'Label'.
A simple text tag associated with some connectivity layers, and indicates whether a connectivity layer connected with a particular tag is present as a component of the record shown.
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Columns 7 - penultimate Column: Comparing InChIs.
A summary of the differences between the Matching InChI of the Query, and the Matching InChI of the src_compound_id.
More information on InChI layer comparisons...
Definitions of InChIs shown.
The 'Full Query InChI' is the InChI currently assigned to the query src_compound_id, or the corresponding InChIKey (depending upon what sort of data type the user selected for the original query). The 'Full Query InChi', together with any component InChIs that it may contain, are shown at the top of this results page, for reference.
Using the toggle buttons above, three other InChIs may be shown or hidden in the table, as required.
The 'Full InChI of the src_compound_id' is the InChI associated with the src_compound_id shown in column 4. This may consist of either a single or composite InChIs (ie: it may represent a mixture or a salt)
The 'Matching InChI of the src_compound_id' is the InChI derived from the 'Full InChI of the src_comound_id' in column 4, and will only ever be a single component InChI. UniChem has identified a match between this and the 'Matching InChI of the Query'. Note that if the 'Full InChI of the src_compound_id' is NOT a composite InChI, then the Matching and Full InChI of the src_compound_id will be identical.
The 'Matching InChI of the Query' is the InChI derived from the Full Query InChI. and will only ever be a single component InChI. UniChem has identified a match between this and the 'Matching InChI of the src_compound_id'. Note that if the 'Full Query InChI' is NOT a composite InChI, then the Matching InChI of the Query' and the 'Full Query InChI' will be identical.

Columns 7-12. InChI Comparison Summaries
Column headers with single lower-case letters indicate the differences between the 'Matching InChI of the src_compound_id' and the 'Matching InChi of the Query'
1 = difference, 0 = same, null = comparison not valid (see * below).
Only layers that may be present in the Standard InChI, but are not used to create the connectivity hash block of the Standard InChIKey, are shown.
Layer Description
/p ... Protons. The number of protons that must be added to or removed from the formula to give the input composition. (see * below)
/b ... Double bond stereo.
/t ... Tetrahedral stereo.
/m ... Inversion flag for tetrahedral stereo. Note that the enantiomers of a chiral molecule will have the same /t layer but different /m flags; either /m0 or /m1.
/s ... Stereo type. Refers only to stereo that changes upon spatial inversion. Since inversion cannot change the double bond stereo, /s modifies the /t layer only, not the /b layer.
/i ... Isotope. Defines the presence of isotopic atoms, and includes changes in stereochemistry created by their presence.
* 'Comparison not valid'
The 'p' layer in a multicomponent InChI is a single value descriptor applied to the entire multi-component InChI) and cannot be ascribed to the separate InChIs during splitting. For this reason, the 'p' value is ignorred when creating the separate InChIs from a multi-component InChI. Thus, comparisons of the p layers are only valid where none of the compared InChIs have been split. For this reason 'p' comparisons are shown as 'null' for all component mappings other than 'matches' (ie:C=0).
En = Enantiomer flag
A Enantiomer flag (a '1' in column 'En') is present when an Enantiomer has been detected. Enantiomers are defined when all layers (apart from the 'p' layer) are identical except for the 'm' layer, and this layer is defined as '0' in one InChI and '1' in the other. The comparison of 'm' layers in this way only occurs between matching InChIs which are single InChIs.
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Last Column: '#' The Assignment Grouping Number.
This number, usually '1' for all records, can normally be ignorred. However, when Connectivity Searches are carried out using a Query src_compound_id which is currently assigned to MULTIPLE InChIs then multiple queries are run for each of these separate current assignments. This complicates the results output greatly. When this occurrs, the user is warned that the results table contains output from multiple queries, and that each of the queries is numbered. To cluster the results from the same queries, the user must first sort the data by this column.
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Apparent Redundancy.
Apparent redundancy in the output can normally be explained by the presence of either a src_compound_ids with multiple assignments, or a retrieved InChI containing more than one matching component InChI. Follow the links on this page for more information.
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CMR. Query InChI... src_id Source src_compound_id Image Asn label p b t m s i En Full InChI of src_compound_id src_compound_id InChIKey Matching src_compound_id InChI Matching Query InChI #
...matches... 1 ChEMBL CHEMBL17860
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 1 ChEMBL CHEMBL2107417
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 1 ChEMBL CHEMBL2106205
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 2 DrugBank DB04948
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 4 Guide to Pharmacology 9868
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 7 ChEBI 51368
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 9 ZINC ZINC000000005626
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 9 ZINC ZINC000000001266
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 10 eMolecules 36552991
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 10 eMolecules 10599101
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 11 IBM Patent System C43F729BDAB8D1C47DA1853D3871B9B8
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 11 IBM Patent System 7808D090D9CFBCFAB29125E84EBF628C
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 11 IBM Patent System 865040C76B31A67155EB88BD770209EB
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 14 FDA SRS 5SPW497X0Z
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 14 FDA SRS VXJ7Z24RN1
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 15 SureChEMBL SCHEMBL48960
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 15 SureChEMBL SCHEMBL947241
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 15 SureChEMBL SCHEMBL124602
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 17 PharmGKB PA164744510
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 18 Human Metabolome Database HMDB0015606
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 21 PubChem: Thomson Pharma 85847312
1 0 0 1 1 1 1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1/i5D2,6D2 KSMAGQUYOIHWFS-ARZYVZHFSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1/i5D2,6D2 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 21 PubChem: Thomson Pharma 14774610
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 21 PubChem: Thomson Pharma 85258038
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 21 PubChem: Thomson Pharma 85852315
1 0 0 1 1 1 1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1/i5D2,6D2 KSMAGQUYOIHWFS-NCFONQEVSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1/i5D2,6D2 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 44512724
1 0 0 1 1 1 1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1/i5D2,6D2 KSMAGQUYOIHWFS-ARZYVZHFSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1/i5D2,6D2 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 25271896
1 1 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/p+1/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-O InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/p+1/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 12715400
1 0 0 0 0 0 1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i5D2,6D2 KSMAGQUYOIHWFS-NZLXMSDQSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i5D2,6D2 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 102601277
1 0 0 0 0 0 1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i5D,6D,7D/hD KSMAGQUYOIHWFS-MZCYPUCGSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/i5D,6D,7D/hD InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 30668
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 3038503
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 208822
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 44517453
1 0 0 1 1 1 1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1/i5D2,6D2 KSMAGQUYOIHWFS-NCFONQEVSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1/i5D2,6D2 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 22 PubChem 25271783
1 1 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/p+1/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-O InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/p+1/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 25 LINCS LSM-4951
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 26 ACToR 31036-80-3
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 26 ACToR 81447-78-1
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 26 ACToR 81447-79-2
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 28 MolPort MolPort-003-848-405
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 29 Nikkaji J20.359I
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 29 Nikkaji J33.078G
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 KSMAGQUYOIHWFS-SSDOTTSWSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m1/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 29 Nikkaji J33.077I
1 0 0 1 1 1 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 KSMAGQUYOIHWFS-ZETCQYMHSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)/t7-/m0/s1 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 32 EPA CompTox Dashboard DTXSID7023221
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 34 DrugCentral 1593
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 37 Brenda 217388
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 39 ChemicalBook CB3731949
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 40 DailyMed lofexidine
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 45 DailyMed LOFEXIDINE
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 46 clinicaltrials LUCEMYRA
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 46 clinicaltrials MDL 14,042
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 46 clinicaltrials MDL-14042
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 46 clinicaltrials LOFEXIDINE HYDROCHLORIDE
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 46 clinicaltrials LOFEXIDINE
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 47 rxnorm LUCEMYRA
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 47 rxnorm LOFEXIDINE HYDROCHLORIDE
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1
...matches... 47 rxnorm LOFEXIDINE
1 0 0 0 0 0 0 InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) KSMAGQUYOIHWFS-UHFFFAOYSA-N InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15) 1




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