General Information of the Compound
| Compound ID |
CP0558922
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| Compound Name |
2-[4-[ethyl(methylsulfonyl)amino]-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C25H32F4N4O3S
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| Molecular Weight |
544.615
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| Canonical SMILES |
CCN(c1ccc(cc1F)C(C)C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C25H32F4N4O3S/c1-5-33(37(4,35)36)21-8-6-18(14-20(21)26)17(3)24(34)30-15-19-7-9-22(25(27,28)29)31-23(19)32-12-10-16(2)11-13-32/h6-9,14,16-17H,5,10-13,15H2,1-4H3,(H,30,34)
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| InChIKey |
LAKZDWVYQCYJPR-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