General Information of the Compound
| Compound ID |
CP0472632
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| Compound Name |
N-[[2-butylsulfanyl-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C22H26F4N2O3S2
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| Molecular Weight |
506.587
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| Canonical SMILES |
CCCCSc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H26F4N2O3S2/c1-4-5-10-32-20-12-17(22(24,25)26)8-6-16(20)13-27-21(29)14(2)15-7-9-19(18(23)11-15)28-33(3,30)31/h6-9,11-12,14,28H,4-5,10,13H2,1-3H3,(H,27,29)
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| InChIKey |
GKFCVBQQNUGUOA-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