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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL215433
CHEMBL215433
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H22N2O3

Additional synonyms for CHEMBL215433 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)c1ccc(NC(=O)c2ccc(cc2)c3ncccc3C(=O)O)cc1
Standard InChI InChI=1S/C23H22N2O3/c1-23(2,3)17-10-12-18(13-11-17)25-21(26) ...
Download InChI
Standard InChI Key WMBHNJXBHHHZFG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL215433

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 5 4 79.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.77 4.98 3.65 .55 3 28 0.67

Structural Alerts

There are no structural alerts for CHEMBL215433

Compound Cross References

ChemSpider ChemSpider:WMBHNJXBHHHZFG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL215433



BindingDB 50191701
PubChem 44416759
ZINC ZINC000038149583

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