General Information of the Compound
| Compound ID |
CP0396226
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| Compound Name |
1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
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| Structure |
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| Formula |
C23H34N2O
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| Molecular Weight |
354.538
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| Canonical SMILES |
CC(C)C1CCC(CC1)N1CCC(CC1)N1C(=O)CCc2ccccc12
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| InChI |
InChI=1S/C23H34N2O/c1-17(2)18-7-10-20(11-8-18)24-15-13-21(14-16-24)25-22-6-4-3-5-19(22)9-12-23(25)26/h3-6,17-18,20-21H,7-16H2,1-2H3
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| InChIKey |
BEWDVGPOPIFWLH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT01360, Nociceptin receptor