JNJ-16567083   Click here for help

GtoPdb Ligand ID: 7442

Compound class: Synthetic organic
Comment: This compound is represented on PubChem as the non-isomeric structure CID 9948645.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 39.19
Molecular weight 311.19
XLogP 3.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC
Isomeric SMILES CO[C@@H]1CC[C@@H](CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC
InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+
InChI Key VEURHZYLLRSEGL-RHNCMZPLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3-ethyl-2-methylquinolin-6-yl)-(4-methoxycyclohexyl)methanone
Database Links Click here for help
ChEMBL Ligand CHEMBL188906
GtoPdb PubChem SID 178104014
PubChem CID 9948645
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