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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL63689
CHEMBL63689
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15N3O2

Additional synonyms for CHEMBL63689 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1cc(cc1\C=C\C(=O)NN)C(=O)c2ccccc2
Standard InChI InChI=1S/C15H15N3O2/c1-18-10-12(9-13(18)7-8-14(19)17-16)15(2 ...
Download InChI
Standard InChI Key JXOHWQNVGHDUHT-BQYQJAHWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL63689

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
269.3 269.1164 1.26 4 77.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.24 2.89 1.76 1.76 2 20 0.29

Structural Alerts

There are 10 structural alerts for CHEMBL63689. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JXOHWQNVGHDUHT-BQYQJAHWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL63689



Nikkaji J1.592.311C
PubChem 11054709
PubChem: Thomson Pharma 16121364
ZINC ZINC000013493190

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