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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL157955
CHEMBL157955
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H22N2O

Additional synonyms for CHEMBL157955 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cccc(CC)c1OC(C)C2=NCCN2
Standard InChI InChI=1S/C15H22N2O/c1-4-12-7-6-8-13(5-2)14(12)18-11(3)15-16- ...
Download InChI
Standard InChI Key OXGCVSXSSWZTMU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL157955

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
246.4 246.1732 2.58 5 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 4.19 2.3 1 18 0.87

Structural Alerts

There are no structural alerts for CHEMBL157955

Compound Cross References

ChemSpider ChemSpider:OXGCVSXSSWZTMU-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL157955



BindingDB 50419884
Nikkaji J273.291B
PubChem 44371864

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