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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 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

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
Brenda 41630 166943 66075 6895 196493 140445 160389 129648 38435 80297 196400 148419 161715
ChEBI 136185
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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