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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1313005
CHEMBL1313005
Compound Name PHENAMIPHOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H22NO3PS

Additional synonyms for CHEMBL1313005 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1
Standard InChI InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19 ...
Download InChI
Standard InChI Key ZCJPOPBZHLUFHF-UHFFFAOYSA-N

Structural Alerts

There are 6 structural alerts for CHEMBL1313005. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1313005

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
303.4 303.1058 3.05 7 82.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.18 3.18 1 19 0.62

Compound Cross References

ChemSpider ChemSpider:ZCJPOPBZHLUFHF-UHFFFAOYSA-N
PubChem SID: 144214042 SID: 17388788 SID: 26753116 SID: 85147165

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1313005



ACToR 22224-92-6
ChEBI 38680
eMolecules 509832
EPA CompTox Dashboard DTXSID3024102
Human Metabolome Database HMDB31787
IBM Patent System 134C33FD7B666BD1DB06958088AB48BC
KEGG Ligand C18659
MolPort MolPort-003-933-400
Nikkaji J11.420K
PubChem 31070
PubChem: Thomson Pharma 14800605
SureChEMBL SCHEMBL76010

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