ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3182477
CHEMBL3182477
Compound Name SULFOTEP
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C8H20O5P2S2

Additional synonyms for CHEMBL3182477 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=S)(OCC)OP(=S)(OCC)OCC
Standard InChI InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12- ...
Download InChI
Standard InChI Key XIUROWKZWPIAIB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL3182477

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
322.3 322.0227 3.6 10 46.15 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.99 3.99 0 17 0.57

Structural Alerts

There are 7 structural alerts for CHEMBL3182477. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B57 - SULFOTEP
ChemSpider ChemSpider:XIUROWKZWPIAIB-UHFFFAOYSA-N
PubChem SID: 144208954 SID: 144213452

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3182477



ACToR 3689-24-5
Brenda 130568
ChEBI 38945
eMolecules 510217
EPA CompTox Dashboard DTXSID7024328
FDA SRS V41BK2EE8X
IBM Patent System 8EFE5C9081D9CF79C4AEFC465FF9B81B
Mcule MCULE-4788565601
Nikkaji J86.052B
PubChem 19395
PubChem: Thomson Pharma 14899378
SureChEMBL SCHEMBL35637
ZINC ZINC000001693865

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