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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15780
CHEMBL15780
Compound Name PHENOXYCARB
ChEMBL Synonyms Phenoxycarb
Max Phase 0
Trade Names
Molecular Formula C17H19NO4

Additional synonyms for CHEMBL15780 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
Standard InChI InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9 ...
Download InChI
Standard InChI Key HJUFTIJOISQSKQ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15780

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
301.3 301.1314 3.56 8 56.79 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.13 - 4.37 4.37 2 22 0.76

Structural Alerts

There are 3 structural alerts for CHEMBL15780. To view alerts please click here.

Compound Cross References

IRAC C - GROWTH REGULATION
C7 - JUVENILE HORMONE MIMICS
C77B - FENOXYCARB
C77B1 - FENOXYCARB
ChemSpider ChemSpider:HJUFTIJOISQSKQ-UHFFFAOYSA-N
PubChem SID: 144211526 SID: 26757230 SID: 29216441
Wikipedia Fenoxycarb

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15780



ACToR 72490-01-8
ChEBI 5009
eMolecules 499794
EPA CompTox Dashboard DTXSID7032393
FDA SRS JEN0LSV1G9
IBM Patent System A8B2359E444BD3900B03CB1710FA64E4
KEGG Ligand C11078
Nikkaji J296.319A
NMRShiftDB 20208479
PubChem 51605
PubChem: Thomson Pharma 15072921
SureChEMBL SCHEMBL27336
ZINC ZINC000001532145

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