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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

Sources

  • Scientific Literature

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 3.7 8 29.54 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

Structural Alerts

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

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
BindingDB 50027342
Brenda 41630 166943 66075 6895 140445 196493 129648 160389 38435 80297 196400 148419 161715
ChEBI 136185
EPA CompTox Dashboard DTXSID80866161
IBM Patent System 7B0F5AD7D4DD3249D6E8473EC9B49C9D
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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