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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL155866
CHEMBL155866
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H18N2O

Additional synonyms for CHEMBL155866 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1c(C)cccc1C)C2=NCCN2
Standard InChI InChI=1S/C13H18N2O/c1-9-5-4-6-10(2)12(9)16-11(3)13-14-7-8-15 ...
Download InChI
Standard InChI Key JWAAXMLRAVOKBQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL155866

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
218.3 218.1419 2.07 3 33.62 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.95 3.17 1.28 1 16 0.84

Structural Alerts

There are no structural alerts for CHEMBL155866

Compound Cross References

ChemSpider ChemSpider:JWAAXMLRAVOKBQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL155866



BindingDB 50419889
Nikkaji J273.289K
PubChem 44371755
SureChEMBL SCHEMBL10035176

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