General Information of the Compound
| Compound ID |
CP0420709
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| Compound Name |
6-(2,6-dimethoxyphenyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-one
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| Structure |
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| Formula |
C21H22F3NO4
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| Molecular Weight |
409.404
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| Canonical SMILES |
COc1cccc(OC)c1C1CCCC(=O)N1Cc1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C21H22F3NO4/c1-27-17-9-5-10-18(28-2)20(17)16-8-4-11-19(26)25(16)13-14-6-3-7-15(12-14)29-21(22,23)24/h3,5-7,9-10,12,16H,4,8,11,13H2,1-2H3
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| InChIKey |
IIVWPEBDJNADDC-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