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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL483105
CHEMBL483105
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H26NO2PS

Additional synonyms for CHEMBL483105 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=O)(C)SCCN(C(C)C)C(C)C
Standard InChI InChI=1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5 ...
Download InChI
Standard InChI Key JJIUCEJQJXNMHV-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL483105. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL483105

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
267.4 267.1422 2.18 8 64.64 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.78 2.05 -.26 0 16 0.63

Compound Cross References

ChemSpider ChemSpider:JJIUCEJQJXNMHV-UHFFFAOYSA-N
Wikipedia VX_(nerve_agent)

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL483105



ACToR 65167-63-7 65167-64-8 50782-69-9
IBM Patent System 7B0F5AD7D4DD3249D6E8473EC9B49C9D
IBM Patents WO2007066240A2 US20100022020 WO2008048698A2 EP1854160A2 WO2006029751A2 US20100137672 US7800056 US20060182670 WO2009088553A1 WO2007020642A2 US20100072359 US5710358 US6472437 US20100168498 US20080101995 US20060192098 EP1700620A2 US6403653 US20040067205 WO2008121896A2 US6727400 WO2009058678A1 US3979182 US20080217524 US5069797 US20080230689 WO2006029724A2 US7838476 US6537382 US20070258147 EP0184062A2 US20040230082 WO2008039996A2 US20020016524 WO2009055128A2 US20090107919 WO2008035138A2 US6420434 US20090216060 US7214836 US4840911 US20090111689 US7736664 US7442677 US20070184970 US20080056933 WO2004054521A2 WO2008134090A2 WO2007089221A2 US20020184957 US20070185006 US7458283 EP2102346A2 US20080085848 US20100032084 US6437005 US20100300054 US7678736 US20090176802 US20100230359 WO2008028130A1 EP2212245A1 EP1851538A2 US5631469 US6722182 US20100022008 WO1994005808A1 US6897032 WO2008115855A1 US20080264186 US5763737 US20050288616 US4599609 US7439496 US6640654 US6417236 WO2006085319A2 US20070299275 US5935862 EP1517670A2 EP1960794A2 US20020155949 EP2152944A2 US6472438 WO2007085898A2 EP1802377A2 US5689038 US5965882 US6245957 US20100235104 EP2069779A2 US20040161856 US5430228 WO2010141413A1 US6143088 WO2007092458A1 US6410604 US6723891 US6410603 US6414039
Nikkaji J10.250D
PubChem 39793
PubChem: Thomson Pharma 14872555
SureChEMBL SCHEMBL215425

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