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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1493108
CHEMBL1493108
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19NO2

Additional synonyms for CHEMBL1493108 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CN1CCCC(O)C1)c2ccccc2
Standard InChI InChI=1S/C13H19NO2/c15-12-7-4-8-14(9-12)10-13(16)11-5-2-1-3- ...
Download InChI
Standard InChI Key UXDSNEZYZXMQEY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1493108

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
221.3 221.1416 1.18 3 43.7 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.83 1.02 .5 1 16 0.81

Structural Alerts

There are no structural alerts for CHEMBL1493108

Compound Cross References

ChemSpider ChemSpider:UXDSNEZYZXMQEY-UHFFFAOYSA-N
PubChem SID: 24832815

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1493108



eMolecules 31841282
Mcule MCULE-7480171019
MolPort MolPort-004-039-184
PubChem 4039996

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