General Information of the Compound
| Compound ID |
CP0448183
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-3-(4-fluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C29H31F5N4O3S
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| Molecular Weight |
610.649
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)C(Cc1ccc(F)cc1)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C29H31F5N4O3S/c1-18-11-13-38(14-12-18)27-21(6-10-26(36-27)29(32,33)34)17-35-28(39)23(15-19-3-7-22(30)8-4-19)20-5-9-25(24(31)16-20)37-42(2,40)41/h3-10,16,18,23,37H,11-15,17H2,1-2H3,(H,35,39)
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| InChIKey |
FIWQIGJCMOFUBK-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