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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL115153
CHEMBL115153
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17NO5

Additional synonyms for CHEMBL115153 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)CN(C1CCCC1)C(=O)c2ccccc2C(=O)O
Standard InChI InChI=1S/C15H17NO5/c17-13(18)9-16(10-5-1-2-6-10)14(19)11-7-3 ...
Download InChI
Standard InChI Key KOAQPWKIMYZORZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL115153

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
291.3 291.1107 1.85 5 94.91 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.52 - 1.3 -3.45 1 21 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL115153. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KOAQPWKIMYZORZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL115153



BindingDB 50020836
PubChem 44340905
ZINC ZINC000027073059

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