General Information of the Compound
| Compound ID |
CP0374735
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| Compound Name |
N-[[2-benzylsulfanyl-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H24F4N2O3S2
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| Molecular Weight |
540.604
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1SCc1ccccc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H24F4N2O3S2/c1-16(18-9-11-22(21(26)12-18)31-36(2,33)34)24(32)30-14-19-8-10-20(25(27,28)29)13-23(19)35-15-17-6-4-3-5-7-17/h3-13,16,31H,14-15H2,1-2H3,(H,30,32)
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| InChIKey |
STBGZBZTNDOOCG-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