ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL160610
CHEMBL160610
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13N

Additional synonyms for CHEMBL160610 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1c2ccccc2Cc3ccccc13
Standard InChI InChI=1S/C14H13N/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11) ...
Download InChI
Standard InChI Key BYDPSHUZBXOTOM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL160610

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
195.3 195.1048 2.64 0 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.55 3 1.82 2 15 0.69

Structural Alerts

There are no structural alerts for CHEMBL160610

Compound Cross References

ChemSpider ChemSpider:BYDPSHUZBXOTOM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL160610



BindingDB 50097643
IBM Patent System F5042051C399A466E8C8724B6EAD56EB
Nikkaji J450.233G
PubChem 606991
SureChEMBL SCHEMBL8247822

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