General Information of the Compound
| Compound ID |
CP0384884
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-methylbutylsulfanyl)-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C23H28F4N2O3S2
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| Molecular Weight |
520.614
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| Canonical SMILES |
CC(C)CCSc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H28F4N2O3S2/c1-14(2)9-10-33-21-12-18(23(25,26)27)7-5-17(21)13-28-22(30)15(3)16-6-8-20(19(24)11-16)29-34(4,31)32/h5-8,11-12,14-15,29H,9-10,13H2,1-4H3,(H,28,30)
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| InChIKey |
GHYIYWSZXUZKRO-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