General Information of the Compound
| Compound ID |
CP0447634
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| Compound Name |
1-[3-fluoro-4-(methanesulfonamido)phenyl]-1-methyl-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
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| Structure |
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| Formula |
C22H27F4N5O3S
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| Molecular Weight |
517.549
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)N(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H27F4N5O3S/c1-14-8-10-31(11-9-14)20-15(4-7-19(28-20)22(24,25)26)13-27-21(32)30(2)16-5-6-18(17(23)12-16)29-35(3,33)34/h4-7,12,14,29H,8-11,13H2,1-3H3,(H,27,32)
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| InChIKey |
MSEUAQOGDNNXRK-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