General Information of the Compound
| Compound ID |
CP0384885
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pentylsulfanyl-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 |
CCCCCSc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C23H28F4N2O3S2/c1-4-5-6-11-33-21-13-18(23(25,26)27)9-7-17(21)14-28-22(30)15(2)16-8-10-20(19(24)12-16)29-34(3,31)32/h7-10,12-13,15,29H,4-6,11,14H2,1-3H3,(H,28,30)
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| InChIKey |
PDCSEXQVWIDYNE-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