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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL450410
CHEMBL450410
Compound Name FENAMIPHOS
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H22NO3PS

Additional synonyms for CHEMBL450410 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOP(=O)(O)N(C(C)C)c1ccc(SC)c(C)c1
Standard InChI InChI=1S/C13H22NO3PS/c1-6-17-18(15,16)14(10(2)3)12-7-8-13(19 ...
Download InChI
Standard InChI Key PIYZYPUXWGSMDP-UHFFFAOYSA-N

Structural Alerts

There are 6 structural alerts for CHEMBL450410. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL450410

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 3.03 6 84.88 ACID


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
-.75 2.52 2.93 -.56 1 19 0.65

Compound Cross References

IRAC A - NERVE ACTION
A1 - ACETYLCHOLINESTERASE (ACHE) INHIBITORS
A11B - ORGANOPHOSPHATES
A11B24 - FENAMIPHOS
ChemSpider ChemSpider:PIYZYPUXWGSMDP-UHFFFAOYSA-N
Wikipedia Fenamiphos

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL450410



IBM Patent System 56EE4F959F5B6A72BB03594200B24A92
IBM Patents US4975425
PubChem 44586308
SureChEMBL SCHEMBL7119419

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