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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1308207
CHEMBL1308207
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19NO2

Additional synonyms for CHEMBL1308207 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CC(=O)Nc1cccc(c1)C(C)O
Standard InChI InChI=1S/C13H19NO2/c1-9(2)7-13(16)14-12-6-4-5-11(8-12)10(3)1 ...
Download InChI
Standard InChI Key PDBKPJJINJEZOL-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1308207

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 2.72 4 49.33 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .34 2.05 2.05 1 16 0.82

Structural Alerts

There are no structural alerts for CHEMBL1308207

Compound Cross References

ChemSpider ChemSpider:PDBKPJJINJEZOL-UHFFFAOYSA-N
PubChem SID: 14745193

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1308207



eMolecules 8279200
Mcule MCULE-8518960694
MolPort MolPort-002-841-094
PubChem 9551969

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