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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1967814
CHEMBL1967814
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14N4O

Additional synonyms for CHEMBL1967814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cn1c(\C=N\NC(=O)c2ccccc2)nc3ccccc13
Standard InChI InChI=1S/C16H14N4O/c1-20-14-10-6-5-9-13(14)18-15(20)11-17-19 ...
Download InChI
Standard InChI Key OHPKQUIUYBYMAZ-GZTJUZNOSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1967814

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
278.3 278.1168 2.34 3 59.28 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.12 3.25 3.31 3.31 3 21 0.59

Structural Alerts

There are 4 structural alerts for CHEMBL1967814. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OHPKQUIUYBYMAZ-GZTJUZNOSA-N
PubChem SID: 17411725

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1967814



eMolecules 2084880
MolPort MolPort-002-157-463
Nikkaji J694.798K
PubChem 5335201
ZINC ZINC000006456684

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