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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2172243
CHEMBL2172243
Compound Name
ChEMBL Synonyms 2-(2,3-Dihydroxybenzylideneamino)Benzamide
Max Phase 0
Trade Names
Molecular Formula C14H12N2O3

Additional synonyms for CHEMBL2172243 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1ccccc1\N=C\c2cccc(O)c2O
Standard InChI InChI=1S/C14H12N2O3/c15-14(19)10-5-1-2-6-11(10)16-8-9-4-3-7- ...
Download InChI
Standard InChI Key BEOFBWOWYHFKQH-LZYBPNLTSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2172243

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
256.3 256.0848 1.95 3 95.91 NEUTRAL


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
8.43 2.47 1.87 1.79 2 19 0.58

Structural Alerts

There are 4 structural alerts for CHEMBL2172243. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BEOFBWOWYHFKQH-LZYBPNLTSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2172243



BindingDB 50396739
eMolecules 25796257
Mcule MCULE-7339144824
MolPort MolPort-001-022-296
PubChem: Thomson Pharma 135379560
SureChEMBL SCHEMBL10090683
ZINC ZINC000000297856

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