General Information of the Compound
| Compound ID |
CP0493879
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| Compound Name |
tert-butyl 4-[[[3-[[2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoylamino]methyl]-6-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C28H37F4N5O5S
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| Molecular Weight |
631.693
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1NCC1CCN(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/C28H37F4N5O5S/c1-17(19-6-8-22(21(29)14-19)36-43(5,40)41)25(38)34-16-20-7-9-23(28(30,31)32)35-24(20)33-15-18-10-12-37(13-11-18)26(39)42-27(2,3)4/h6-9,14,17-18,36H,10-13,15-16H2,1-5H3,(H,33,35)(H,34,38)
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| InChIKey |
XPLZDDGRPJSUET-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