General Information of the Compound
| Compound ID |
CP0522377
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| Compound Name |
(R)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(4-fluorophenyl)-2-methyl-4-(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@](CCN1CCC(CC1)c1ccccc1)(CNCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
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| InChI |
InChI=1S/C31H33F7N2/c1-29(25-7-9-28(32)10-8-25,13-16-40-14-11-24(12-15-40)23-5-3-2-4-6-23)21-39-20-22-17-26(30(33,34)35)19-27(18-22)31(36,37)38/h2-10,17-19,24,39H,11-16,20-21H2,1H3/t29-/m0/s1
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| InChIKey |
NFRGQOJVDATPMM-LJAQVGFWSA-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