General Information of the Compound
| Compound ID |
CP0395668
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| Compound Name |
[1-[3-[[2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoylamino]methyl]-6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl] acetate
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| Structure |
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| Formula |
C24H28F4N4O5S
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| Molecular Weight |
560.57
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(CC1)OC(C)=O)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H28F4N4O5S/c1-14(16-4-6-20(19(25)12-16)31-38(3,35)36)23(34)29-13-17-5-7-21(24(26,27)28)30-22(17)32-10-8-18(9-11-32)37-15(2)33/h4-7,12,14,18,31H,8-11,13H2,1-3H3,(H,29,34)
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| InChIKey |
XSLRYDNINZCGSN-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