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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL162123
CHEMBL162123
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H20N2O

Additional synonyms for CHEMBL162123 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1N(Cc2cccc3cccc1c23)[C@H]4CN5CCC4CC5
Standard InChI InChI=1S/C19H20N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-2 ...
Download InChI
Standard InChI Key VCHJWOMYKAVXSP-KRWDZBQOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL162123

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
292.4 292.1576 2.44 1 23.55 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.72 2.4 .68 2 22 0.81

Structural Alerts

There are no structural alerts for CHEMBL162123

Compound Cross References

ChemSpider ChemSpider:VCHJWOMYKAVXSP-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL162123



BindingDB 50280506
PubChem 11779116
PubChem: Thomson Pharma 16889000
ZINC ZINC000027746957

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