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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL482396
CHEMBL482396
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20ClNO4

Additional synonyms for CHEMBL482396 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.OC(CNCC=C)COc1cccc2C(=O)c3ccccc3Oc12
Standard InChI InChI=1S/C19H19NO4.ClH/c1-2-10-20-11-13(21)12-23-17-9-5-7-15 ...
Download InChI
Standard InChI Key HOBUYAMLABQIHQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL482396

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
325.4 325.1314 2.46 7 71.7 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.8 8.26 2.36 1.36 3 24 0.4

Structural Alerts

There are 6 structural alerts for CHEMBL482396. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HOBUYAMLABQIHQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL482396



PubChem 44570782

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