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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

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

Structural Alerts

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

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
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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