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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2098477
CHEMBL2098477
Compound Name
ChEMBL Synonyms GW663013X
Max Phase 0
Trade Names
Molecular Formula C16H13N3O3

Additional synonyms for CHEMBL2098477 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)N2C(=O)NC(=O)C(=Cc3ccc[nH]3)C2=O
Standard InChI InChI=1S/C16H13N3O3/c1-10-4-6-12(7-5-10)19-15(21)13(14(20)18 ...
Download InChI
Standard InChI Key BIPQUPFCQZMATF-UHFFFAOYSA-N

Sources

  • GSK Tuberculosis Screening

Alternate Forms of Compound in ChEMBL


CHEMBL2098477

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
295.3 295.0957 1.99 2 82.27 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.83 - 1.86 1.74 2 22 0.66

Structural Alerts

There are 5 structural alerts for CHEMBL2098477. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BIPQUPFCQZMATF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2098477



eMolecules 26256909
Mcule MCULE-3439444782
PubChem 6741215

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