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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL342424
CHEMBL342424
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H20ClNO4

Additional synonyms for CHEMBL342424 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(cc1)[C@]23CCC(=O)N2C[C@H](COc4ccc(Cl)cc4)O3
Standard InChI InChI=1S/C20H20ClNO4/c1-24-16-6-2-14(3-7-16)20-11-10-19(23)2 ...
Download InChI
Standard InChI Key IVWCPBRJGXYFNI-UYAOXDASSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL342424

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
373.8 373.1081 3.6 5 48 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.04 5.04 2 26 0.8

Structural Alerts

There are no structural alerts for CHEMBL342424

Compound Cross References

ChemSpider ChemSpider:IVWCPBRJGXYFNI-UYAOXDASSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL342424



PubChem 10761909
PubChem: Thomson Pharma 15799390
ZINC ZINC000027523095

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