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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL353650
CHEMBL353650
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H18ClNO5

Additional synonyms for CHEMBL353650 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc(Cl)cc1C(=O)NCCc2ccc(OCC(=O)O)cc2
Standard InChI InChI=1S/C18H18ClNO5/c1-24-16-7-4-13(19)10-15(16)18(23)20-9- ...
Download InChI
Standard InChI Key BRXZOUOWQIHAIP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL353650

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
363.8 363.0874 2.78 8 84.86 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.19 - 1.6 -2.02 2 25 0.75

Structural Alerts

There are no structural alerts for CHEMBL353650

Compound Cross References

ChemSpider ChemSpider:BRXZOUOWQIHAIP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL353650



Nikkaji J3.344.017K
PubChem 44379406

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