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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15876
CHEMBL15876
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17NO3

Additional synonyms for CHEMBL15876 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCCc1ccccc1)NC2CCOC2=O
Standard InChI InChI=1S/C14H17NO3/c16-13(15-12-9-10-18-14(12)17)8-4-7-11-5- ...
Download InChI
Standard InChI Key FBUYEVACKSZURO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15876

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
247.3 247.1208 1.44 5 55.4 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - .68 .68 1 18 0.8

Structural Alerts

There are 1 structural alerts for CHEMBL15876. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBUYEVACKSZURO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15876



IBM Patent System 3E1B0653CD40A744CFFFB81B09597868
PubChem 44270551
SureChEMBL SCHEMBL12318195

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