General Information of the Compound
| Compound ID |
CP0380650
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| Compound Name |
N-[[2-(2,6-dimethylheptan-4-yloxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C26H35F4N3O4S
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| Molecular Weight |
561.642
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| Canonical SMILES |
CC(C)CC(CC(C)C)Oc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C26H35F4N3O4S/c1-15(2)11-20(12-16(3)4)37-25-19(8-10-23(32-25)26(28,29)30)14-31-24(34)17(5)18-7-9-22(21(27)13-18)33-38(6,35)36/h7-10,13,15-17,20,33H,11-12,14H2,1-6H3,(H,31,34)
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| InChIKey |
LBVHMPGWVRIKAI-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