General Information of the Compound
| Compound ID |
CP0418916
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| Compound Name |
tert-butyl 4-[3-[[2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoylamino]methyl]-6-(trifluoromethyl)pyridin-2-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C27H34F4N4O6S
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| Molecular Weight |
618.65
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1OC1CCN(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/C27H34F4N4O6S/c1-16(17-6-8-21(20(28)14-17)34-42(5,38)39)23(36)32-15-18-7-9-22(27(29,30)31)33-24(18)40-19-10-12-35(13-11-19)25(37)41-26(2,3)4/h6-9,14,16,19,34H,10-13,15H2,1-5H3,(H,32,36)
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| InChIKey |
HVTZMXBJKILTDB-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