General Information of the Compound
| Compound ID |
CP0444257
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| Compound Name |
1-[[4-(trifluoromethoxy)phenyl]methyl]-6-(2,4,6-trimethoxyphenyl)piperidin-2-one
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| Structure |
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| Formula |
C22H24F3NO5
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| Molecular Weight |
439.43
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| Canonical SMILES |
COc1cc(OC)c(C2CCCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c(OC)c1
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| InChI |
InChI=1S/C22H24F3NO5/c1-28-16-11-18(29-2)21(19(12-16)30-3)17-5-4-6-20(27)26(17)13-14-7-9-15(10-8-14)31-22(23,24)25/h7-12,17H,4-6,13H2,1-3H3
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| InChIKey |
HJECQBRQQKEBMC-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