General Information of the Compound
| Compound ID |
CP0433077
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| Compound Name |
6-(2,6-dimethoxyphenyl)-3,3-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
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| Structure |
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| Formula |
C23H26F3NO4
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| Molecular Weight |
437.458
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| Canonical SMILES |
COc1cccc(OC)c1C1CCC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C23H26F3NO4/c1-22(2)13-12-17(20-18(29-3)6-5-7-19(20)30-4)27(21(22)28)14-15-8-10-16(11-9-15)31-23(24,25)26/h5-11,17H,12-14H2,1-4H3
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| InChIKey |
CPXXHAFCEIBWKR-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