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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2272785
CHEMBL2272785
Compound Name MONOCROTOPHOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C7H14NO5P

Additional synonyms for CHEMBL2272785 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(=O)\C=C(/C)\OP(=O)(OC)OC
Standard InChI InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4 ...
Download InChI
Standard InChI Key KRTSDMXIXPKRQR-AATRIKPKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2272785

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
223.2 223.061 1.05 5 73.86 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.06 - -.57 -.57 0 14 0.43

Structural Alerts

There are 7 structural alerts for CHEMBL2272785. To view alerts please click here.

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B38 - MONOCROTOPHOS
ChemSpider ChemSpider:KRTSDMXIXPKRQR-AATRIKPKSA-N
PubChem SID: 144211123 SID: 26757279

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2272785



ACToR 6923-22-4
ChEBI 38728
eMolecules 17498251
EPA CompTox Dashboard DTXSID9034816
FDA SRS 5Q3PE07Z18
Human Metabolome Database HMDB0031805
KEGG Ligand C18663
Nikkaji J3.092I
NMRShiftDB 20209375
PubChem 5371562
PubChem: Thomson Pharma 15172201
SureChEMBL SCHEMBL27294
ZINC ZINC000013827879

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