General Information of the Compound
| Compound ID |
CP0417285
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C29H30F5N3O3S
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| Molecular Weight |
595.634
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCC(CC1)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C29H30F5N3O3S/c1-18(21-6-10-26(25(31)15-21)36-41(2,39)40)28(38)35-17-22-3-7-23(29(32,33)34)16-27(22)37-13-11-20(12-14-37)19-4-8-24(30)9-5-19/h3-10,15-16,18,20,36H,11-14,17H2,1-2H3,(H,35,38)
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| InChIKey |
WMQSELOGNNSWDT-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