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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1956195
CHEMBL1956195
Compound Name CYCLOMETHYLINE
ChEMBL Synonyms cyclomethyline
Max Phase 0
Trade Names
Molecular Formula C15H20N2O

Additional synonyms for CHEMBL1956195 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(Oc1ccccc1CC2CC2)C3=NCCN3
Standard InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14 ...
Download InChI
Standard InChI Key SEKAQUSPSDPIAN-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1956195

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
244.3 244.1576 2.41 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 3.54 1.65 1 18 0.86

Structural Alerts

There are no structural alerts for CHEMBL1956195

Compound Cross References

ChemSpider ChemSpider:SEKAQUSPSDPIAN-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1956195



BindingDB 50419878
PubChem 57345628
PubChem: Thomson Pharma 136367118

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