General Information of the Compound
| Compound ID |
CP0449644
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| Compound Name |
2-cyclopentyl-2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C27H34F4N4O3S
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| Molecular Weight |
570.653
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)C(C1CCCC1)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C27H34F4N4O3S/c1-17-11-13-35(14-12-17)25-20(8-10-23(33-25)27(29,30)31)16-32-26(36)24(18-5-3-4-6-18)19-7-9-22(21(28)15-19)34-39(2,37)38/h7-10,15,17-18,24,34H,3-6,11-14,16H2,1-2H3,(H,32,36)
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| InChIKey |
GTVYDJJNJYGPKF-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