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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL565882
CHEMBL565882
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H12N4O2

Additional synonyms for CHEMBL565882 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1cccc2[nH]c(nc12)c3ccc(cc3)c4ocnc4
Standard InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13) ...
Download InChI
Standard InChI Key FFFUQLICAJOHFJ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL565882

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
304.3 304.096 2.98 3 97.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.71 3.63 2.58 2.58 4 23 0.61

Structural Alerts

There are no structural alerts for CHEMBL565882

Compound Cross References

ChemSpider ChemSpider:FFFUQLICAJOHFJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL565882



BindingDB 50300018
PubChem 44541922
PubChem: Thomson Pharma 87223681
ZINC ZINC000045245433

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