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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL431482
CHEMBL431482
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H12N2O4

Additional synonyms for CHEMBL431482 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)c1cc(nc2ccccc12)c3cc(C(=O)O)c4ccccc4n3
Standard InChI InChI=1S/C20H12N2O4/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15 ...
Download InChI
Standard InChI Key AFYNADDZULBEJA-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL431482

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
344.3 344.0797 3.84 3 100.38 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.77 2.85 4.26 .11 4 26 0.59

Structural Alerts

There are 1 structural alerts for CHEMBL431482. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AFYNADDZULBEJA-UHFFFAOYSA-N
PubChem SID: 49724999
Wikipedia Bicinchoninic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL431482



ACToR 1245-13-2
eMolecules 481727
EPA CompTox Dashboard DTXSID8061638
FDA SRS CX56TX9Y1I
IBM Patent System FE3E7CD43408570007755C84FAAEA953
Mcule MCULE-9739149830
MolPort MolPort-000-719-844
Nikkaji J217.077I
PubChem 71068
PubChem: Thomson Pharma 14900494
SureChEMBL SCHEMBL18746
ZINC ZINC000000057310

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