General Information of the Compound
| Compound ID |
CP0398118
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C29H32F4N4O3S
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| Molecular Weight |
592.659
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)C(Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F4N4O3S/c1-19-12-14-37(15-13-19)27-22(9-11-26(35-27)29(31,32)33)18-34-28(38)23(16-20-6-4-3-5-7-20)21-8-10-25(24(30)17-21)36-41(2,39)40/h3-11,17,19,23,36H,12-16,18H2,1-2H3,(H,34,38)
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| InChIKey |
CQRNFKZUIPAJDW-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