General Information of the Compound
| Compound ID |
CP0558923
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| Compound Name |
2-[3-fluoro-4-[methylsulfonyl(prop-2-enoyl)amino]phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C26H30F4N4O4S
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| Molecular Weight |
570.609
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)c1ccc(N(C(=O)C=C)S(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H30F4N4O4S/c1-5-23(35)34(39(4,37)38)21-8-6-18(14-20(21)27)17(3)25(36)31-15-19-7-9-22(26(28,29)30)32-24(19)33-12-10-16(2)11-13-33/h5-9,14,16-17H,1,10-13,15H2,2-4H3,(H,31,36)
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| InChIKey |
UNAXXOHXJUFILD-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