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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL468711
CHEMBL468711
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H15N3

Additional synonyms for CHEMBL468711 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1[C@H](Cn2ccnc12)c3ccccc3c4cccnc4
Standard InChI InChI=1S/C17H15N3/c1-2-6-16(14-10-17-19-8-9-20(17)12-14)15(5 ...
Download InChI
Standard InChI Key JVQZWPGHLBOWKN-CQSZACIVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL468711

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
261.3 261.1266 3.29 2 30.71 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.41 2.68 2.37 3 20 0.71

Structural Alerts

There are no structural alerts for CHEMBL468711

Compound Cross References

ChemSpider ChemSpider:JVQZWPGHLBOWKN-CQSZACIVSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL468711



BindingDB 50258563
PubChem 44574078
ZINC ZINC000040394710

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