General Information of the Compound
| Compound ID |
CP0396650
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-methoxypropoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C21H25F4N3O5S
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| Molecular Weight |
507.506
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| Canonical SMILES |
COCCCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F4N3O5S/c1-13(14-5-7-17(16(22)11-14)28-34(3,30)31)19(29)26-12-15-6-8-18(21(23,24)25)27-20(15)33-10-4-9-32-2/h5-8,11,13,28H,4,9-10,12H2,1-3H3,(H,26,29)
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| InChIKey |
TZDQUJKVEDFIHZ-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