General Information of the Compound
| Compound ID |
CP0171015
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| Compound Name |
(2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-phenylpiperidin-1-yl)butanamide
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| Structure |
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| Formula |
C30H29F7N2O
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| Molecular Weight |
566.561
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| Canonical SMILES |
Fc1ccc(cc1)[C@H](CCN1CCC(CC1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C30H29F7N2O/c31-26-8-6-23(7-9-26)27(12-15-39-13-10-22(11-14-39)21-4-2-1-3-5-21)28(40)38-19-20-16-24(29(32,33)34)18-25(17-20)30(35,36)37/h1-9,16-18,22,27H,10-15,19H2,(H,38,40)/t27-/m0/s1
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| InChIKey |
TWDSSLGDUOHXCF-MHZLTWQESA-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