ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL256984
CHEMBL256984
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N2O

Additional synonyms for CHEMBL256984 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1c(C)ccc2C(CCc12)c3ncc[nH]3
Standard InChI InChI=1S/C14H16N2O/c1-9-3-4-10-11(13(9)17-2)5-6-12(10)14-15- ...
Download InChI
Standard InChI Key DHMOWBLMIPAURS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL256984

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
228.3 228.1263 2.8 2 37.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.85 7.43 2.02 1.53 2 17 0.86

Structural Alerts

There are no structural alerts for CHEMBL256984

Compound Cross References

ChemSpider ChemSpider:DHMOWBLMIPAURS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL256984



BindingDB 50377390
PubChem 44449247

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