General Information of the Compound
| Compound ID |
CP0376466
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| Compound Name |
2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-hydroxy-piperidin-1-yl)-1-phenyl-cyclohexyl]-propionamide
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| Formula |
C28H32F6N2O2
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| Molecular Weight |
542.564
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| Canonical SMILES |
CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H32F6N2O2/c1-18(19-15-21(27(29,30)31)17-22(16-19)28(32,33)34)25(38)35-26(20-5-3-2-4-6-20)11-7-23(8-12-26)36-13-9-24(37)10-14-36/h2-6,15-18,23-24,37H,7-14H2,1H3,(H,35,38)/t18?,23-,26-
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| InChIKey |
RCPUBYXKXCXVPB-QPTNECHASA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor