ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2407952
CHEMBL2407952
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H22N2O3

Additional synonyms for CHEMBL2407952 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(ccn1)\C(=N\O)\CC(c2ccc(cc2)C(=O)O)c3ccccc3C
Standard InChI InChI=1S/C23H22N2O3/c1-15-5-3-4-6-20(15)21(17-7-9-18(10-8-17 ...
Download InChI
Standard InChI Key ZOISCDMRVZOZGO-YYDJUVGSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2407952

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
374.4 374.163 4.8 6 82.78 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.16 5.31 4.01 1.13 3 28 0.37

Structural Alerts

There are 9 structural alerts for CHEMBL2407952. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZOISCDMRVZOZGO-YYDJUVGSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2407952



SureChEMBL SCHEMBL10240982

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