General Information of the Compound
| Compound ID |
CP0522378
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| Compound Name |
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-[(3R,4S)-3-methyl-4-phenylpiperidin-1-yl]butan-1-amine
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| Structure |
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| Formula |
C31H33F7N2
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| Molecular Weight |
566.605
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| Canonical SMILES |
C[C@H]1CN(CC[C@H](CNCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CC[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C31H33F7N2/c1-21-20-40(14-12-29(21)24-5-3-2-4-6-24)13-11-25(23-7-9-28(32)10-8-23)19-39-18-22-15-26(30(33,34)35)17-27(16-22)31(36,37)38/h2-10,15-17,21,25,29,39H,11-14,18-20H2,1H3/t21-,25+,29-/m0/s1
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| InChIKey |
ZMMQSBUIFMJUKH-TXOCWCCNSA-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