General Information of the Compound
| Compound ID |
CP0394942
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| Compound Name |
tert-butyl 4-[[3-[[2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoylamino]methyl]-6-(trifluoromethyl)pyridin-2-yl]oxymethyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C28H36F4N4O6S
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| Molecular Weight |
632.677
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1OCC1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H36F4N4O6S/c1-17(19-6-8-22(21(29)14-19)35-43(5,39)40)24(37)33-15-20-7-9-23(28(30,31)32)34-25(20)41-16-18-10-12-36(13-11-18)26(38)42-27(2,3)4/h6-9,14,17-18,35H,10-13,15-16H2,1-5H3,(H,33,37)
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| InChIKey |
GFXRRBAIECQZAS-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