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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL139974
CHEMBL139974
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C10H8N2O3

Additional synonyms for CHEMBL139974 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccc2c(O)cc(nc2c1)C(=O)O
Standard InChI InChI=1S/C10H8N2O3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/ ...
Download InChI
Standard InChI Key JSWKBYZNBWCWMM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL139974

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
204.2 204.0535 1.22 1 96.44 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.16 13.03 .94 -2.55 2 15 0.61

Structural Alerts

There are 3 structural alerts for CHEMBL139974. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JSWKBYZNBWCWMM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL139974



Nikkaji J704.113F
PubChem 10798212
PubChem: Thomson Pharma 15837444
SureChEMBL SCHEMBL8049608

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