General Information of the Compound
| Compound ID |
CP0461193
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| Compound Name |
N-[4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-phenylcyclohexyl]-2-[3,5-bis(trifluoromethyl)phenyl]propanamide
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| Structure |
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| Formula |
C35H38F6N2O2
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| Molecular Weight |
632.689
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| Canonical SMILES |
CC(C(=O)NC1(CCC(CC1)N1CCC(O)(Cc2ccccc2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C35H38F6N2O2/c1-24(26-20-28(34(36,37)38)22-29(21-26)35(39,40)41)31(44)42-33(27-10-6-3-7-11-27)14-12-30(13-15-33)43-18-16-32(45,17-19-43)23-25-8-4-2-5-9-25/h2-11,20-22,24,30,45H,12-19,23H2,1H3,(H,42,44)
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| InChIKey |
BETCCFITWJNKCT-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor