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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1307292
CHEMBL1307292
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H14N2O2

Additional synonyms for CHEMBL1307292 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cccc(NC(=O)c2cc(O)nc3ccccc23)c1
Standard InChI InChI=1S/C17H14N2O2/c1-11-5-4-6-12(9-11)18-17(21)14-10-16(20 ...
Download InChI
Standard InChI Key FOPUCLBATDRKRC-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1307292

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 3.5 2 62.22 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.75 3.62 4.11 3.91 3 21 0.75

Structural Alerts

There are no structural alerts for CHEMBL1307292

Compound Cross References

ChemSpider ChemSpider:FOPUCLBATDRKRC-UHFFFAOYSA-N
PubChem SID: 49642412

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1307292



eMolecules 1476253 709483
Mcule MCULE-9928440109
MolPort MolPort-000-914-952
PubChem 3153362
ZINC ZINC000013470853

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