General Information of the Compound
| Compound ID |
CP0529429
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| Compound Name |
N-[[2-cyclohexylsulfanyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]-2-(3-fluorophenyl)acetamide
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| Structure |
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| Formula |
C28H28F5N3O3S2
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| Molecular Weight |
613.674
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(cc1F)C(C(=O)NCc1ccc(nc1SC1CCCCC1)C(F)(F)F)c1cccc(F)c1
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| InChI |
InChI=1S/C28H28F5N3O3S2/c1-41(38,39)36-23-12-10-18(15-22(23)30)25(17-6-5-7-20(29)14-17)26(37)34-16-19-11-13-24(28(31,32)33)35-27(19)40-21-8-3-2-4-9-21/h5-7,10-15,21,25,36H,2-4,8-9,16H2,1H3,(H,34,37)
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| InChIKey |
OZRXHDUHGXFVID-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