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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL67242
CHEMBL67242
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H19NO3

Additional synonyms for CHEMBL67242 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O\N=C/1\CCCCC1Cc2ccc(CC(=O)O)cc2
Standard InChI InChI=1S/C15H19NO3/c17-15(18)10-12-7-5-11(6-8-12)9-13-3-1-2- ...
Download InChI
Standard InChI Key JXUBTJKWKFRPQY-PEZBUJJGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL67242

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
261.3 261.1365 2.88 4 69.89 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.34 - 1.97 -1.01 1 19 0.65

Structural Alerts

There are 8 structural alerts for CHEMBL67242. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JXUBTJKWKFRPQY-PEZBUJJGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL67242



PubChem 18999590
SureChEMBL SCHEMBL9140288

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