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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1595865
CHEMBL1595865
Compound Name CHINOMETHIONAT
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H6N2OS2

Additional synonyms for CHEMBL1595865 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2nc3SC(=O)Sc3nc2c1
Standard InChI InChI=1S/C10H6N2OS2/c1-5-2-3-6-7(4-5)12-9-8(11-6)14-10(13)15 ...
Download InChI
Standard InChI Key FBQQHUGEACOBDN-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1595865

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
234.3 233.9922 2.57 0 42.85 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.71 3.71 3 15 0.6

Structural Alerts

There are 4 structural alerts for CHEMBL1595865. To view alerts please click here.

Compound Cross References

IRAC U - UNKNOWN
UUN - COMPOUNDS OF UNKNOWN OR UNCERTAIN MOA
UUNUND - CHINOMETHIONAT
UUNUND1 - CHINOMETHIONAT
FRAC M - MULTI-SITE CONTACT ACTIVITY
M1 - MULTI-SITE CONTACT ACTIVITY
M1M10 - QUINOXALINES
M1M10A - QUINOXALINES
M1M10A1 - CHINOMETHIONAT
ChemSpider ChemSpider:FBQQHUGEACOBDN-UHFFFAOYSA-N
PubChem SID: 251919707 SID: 29217935 SID: 470140

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1595865



ACToR 2439-01-2 113535-72-1
ChEBI 34620
eMolecules 509626
EPA CompTox Dashboard DTXSID2032342
FDA SRS 888OQA249R
IBM Patent System 8C8F8F6DDFAB7E234C02A6B84F774779
KEGG Ligand C14514
Nikkaji J3.029E
NMRShiftDB 20208870
PubChem 17109
PubChem: Thomson Pharma 14773890
SureChEMBL SCHEMBL21205
ZINC ZINC000001590887

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/FBQQHUGEACOBDN-UHFFFAOYSA-N spacer
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