General Information of the Compound
| Compound ID |
CP0551302
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| Compound Name |
(2S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-4-(4-phenylpiperidin-1-yl)pentan-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 |
CC(C[C@H](CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(F)cc1)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H33F7N2/c1-21(40-13-11-25(12-14-40)23-5-3-2-4-6-23)15-26(24-7-9-29(32)10-8-24)20-39-19-22-16-27(30(33,34)35)18-28(17-22)31(36,37)38/h2-10,16-18,21,25-26,39H,11-15,19-20H2,1H3/t21?,26-/m1/s1
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| InChIKey |
XJETUGVIFZBZDZ-ZTDHTWSHSA-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