ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL124055
CHEMBL124055
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15NO

Additional synonyms for CHEMBL124055 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1ccc2CCOc2c1
Standard InChI InChI=1S/C11H15NO/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9/h2-3,7 ...
Download InChI
Standard InChI Key VRNGXHJGMCJRSQ-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL124055

Alternate Forms of Compound in ChEMBL


CHEMBL124055

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
177.2 177.1154 1.69 2 35.25 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.89 1.78 -.62 1 13 0.75

Compound Cross References

ChemSpider ChemSpider:VRNGXHJGMCJRSQ-UHFFFAOYSA-N
Wikipedia 6-APDB

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL124055



ACToR 152623-93-3
Mcule MCULE-7407797823
MolPort MolPort-023-333-794
Nikkaji J3.334.443K
PubChem 192599
SureChEMBL SCHEMBL2562965

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