ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL232673
CHEMBL232673
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H22N2O

Additional synonyms for CHEMBL232673 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1CNC(CN1)C23CC4CC(CC(C4)C2)C3
Standard InChI InChI=1S/C14H22N2O/c17-13-8-15-12(7-16-13)14-4-9-1-10(5-14)3 ...
Download InChI
Standard InChI Key UYCJTZPUBLBMTR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL232673

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
234.3 234.1732 1.29 1 41.13 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
- 7.62 2.06 1.93 0 17 0.72

Structural Alerts

There are 1 structural alerts for CHEMBL232673. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UYCJTZPUBLBMTR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL232673



PubChem 44430185

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