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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1580175
CHEMBL1580175
Compound Name
ChEMBL Synonyms N-(4-(Cyano(Phenyl)Methyl)Phenyl)Acetamide
Max Phase 0
Trade Names
Molecular Formula C16H14N2O

Additional synonyms for CHEMBL1580175 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccc(cc1)C(C#N)c2ccccc2
Standard InChI InChI=1S/C16H14N2O/c1-12(19)18-15-9-7-14(8-10-15)16(11-17)13 ...
Download InChI
Standard InChI Key VHHKZDKTYNLHDR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1580175

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
250.3 250.1106 3.3 3 52.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.67 1.67 2 19 0.91

Structural Alerts

There are no structural alerts for CHEMBL1580175

Compound Cross References

ChemSpider ChemSpider:VHHKZDKTYNLHDR-UHFFFAOYSA-N
PubChem SID: 24803195

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1580175



BindingDB 50396745
eMolecules 1221678
Mcule MCULE-6865932556
MolPort MolPort-001-932-916
PubChem 2832029

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