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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL331488
CHEMBL331488
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H19N

Additional synonyms for CHEMBL331488 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1ccc2CCCCc2c1
Standard InChI InChI=1S/C13H19N/c1-10(14)8-11-6-7-12-4-2-3-5-13(12)9-11/h6- ...
Download InChI
Standard InChI Key UTVKUFYOPJCDPE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL331488

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
189.3 189.1517 3.15 2 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.07 3.34 .8 1 14 0.76

Structural Alerts

There are no structural alerts for CHEMBL331488

Compound Cross References

ChemSpider ChemSpider:UTVKUFYOPJCDPE-UHFFFAOYSA-N
Wikipedia 6-APT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL331488



PubChem 14964398

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