General Information of the Compound
| Compound ID |
CP0433055
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| Compound Name |
6-(2,6-dimethoxyphenyl)-1-(quinolin-3-ylmethyl)piperidin-2-one
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| Structure |
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| Formula |
C23H24N2O3
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| Molecular Weight |
376.456
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| Canonical SMILES |
COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnc2ccccc2c1
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| InChI |
InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-16-13-17-7-3-4-8-18(17)24-14-16/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
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| InChIKey |
CPWNIYYRTPFXMI-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1