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ChEMBL Statistics
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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

Sources

  • Scientific Literature

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

Structural Alerts

There are no structural alerts for CHEMBL124055

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
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
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