General Information of the Compound
| Compound ID |
CP0417284
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| Compound Name |
N-[[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C30H33F4N3O3S
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| Molecular Weight |
591.671
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCC(Cc2ccccc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C30H33F4N3O3S/c1-20(23-9-11-27(26(31)17-23)36-41(2,39)40)29(38)35-19-24-8-10-25(30(32,33)34)18-28(24)37-14-12-22(13-15-37)16-21-6-4-3-5-7-21/h3-11,17-18,20,22,36H,12-16,19H2,1-2H3,(H,35,38)
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| InChIKey |
AEYFSGNHKZUKIT-UHFFFAOYSA-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