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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL384271
CHEMBL384271
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H22N2O3

Additional synonyms for CHEMBL384271 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccccc1c2ccc(cc2)c3c(C#N)c(CC)n(C)c3C(=O)O
Standard InChI InChI=1S/C23H22N2O3/c1-4-19-18(14-24)21(22(23(26)27)25(19)3) ...
Download InChI
Standard InChI Key RRTZAZILIGMFDG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL384271

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 4.89 6 75.25 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.87 - 5.4 2.4 3 28 0.67

Structural Alerts

There are no structural alerts for CHEMBL384271

Compound Cross References

ChemSpider ChemSpider:RRTZAZILIGMFDG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL384271



BindingDB 50191957
PubChem 44416986
SureChEMBL SCHEMBL8287546
ZINC ZINC000038147777

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