ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3317929
CHEMBL3317929
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H13FN2O

Additional synonyms for CHEMBL3317929 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1cc(ccc1NC(=O)c2ccccc2)c3cccnc3
Standard InChI InChI=1S/C18H13FN2O/c19-16-11-14(15-7-4-10-20-12-15)8-9-17(1 ...
Download InChI
Standard InChI Key PWZMPZVPDXSUEG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL3317929

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
292.3 292.1012 4.14 3 41.99 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
12.03 4.08 2.89 2.89 3 22 0.79

Structural Alerts

There are no structural alerts for CHEMBL3317929

Compound Cross References

ChemSpider ChemSpider:PWZMPZVPDXSUEG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3317929



BindingDB 50056305
PubChem 118708519
ZINC ZINC000299833552

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