General Information of the Compound
| Compound ID |
CP0438525
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| Compound Name |
4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexanecarboxylic acid 3,5-bis-trifluoromethyl-benzylamide
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| Formula |
C33H33F7N2O
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| Molecular Weight |
606.626
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| Canonical SMILES |
Fc1ccc(cc1)C1CCN(CC1)[C@H]1CC[C@@](CC1)(C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C33H33F7N2O/c34-28-8-6-23(7-9-28)24-12-16-42(17-13-24)29-10-14-31(15-11-29,25-4-2-1-3-5-25)30(43)41-21-22-18-26(32(35,36)37)20-27(19-22)33(38,39)40/h1-9,18-20,24,29H,10-17,21H2,(H,41,43)/t29-,31-
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| InChIKey |
GENLRMUFBFSRLA-OZIXAUCHSA-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