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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1489796
CHEMBL1489796
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14N2O2

Additional synonyms for CHEMBL1489796 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)n2nc(cc2c3ccccc3)C(=O)O
Standard InChI InChI=1S/C17H14N2O2/c1-12-7-9-14(10-8-12)19-16(11-15(18-19)1 ...
Download InChI
Standard InChI Key ZQCKHZYYTPVCSB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1489796

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
278.3 278.1055 3.55 3 55.12 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.86 - 4.47 1.47 3 21 0.8

Structural Alerts

There are no structural alerts for CHEMBL1489796

Compound Cross References

ChemSpider ChemSpider:ZQCKHZYYTPVCSB-UHFFFAOYSA-N
PubChem SID: 14738435

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1489796



eMolecules 4891253
EPA CompTox Dashboard DTXSID10353731
IBM Patent System 9A05BE762DBA24931C84BDFAAD4F6FA7
Mcule MCULE-6485312249
MolPort MolPort-002-869-205
PubChem 750183
SureChEMBL SCHEMBL1514335
ZINC ZINC000000198419

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