General Information of the Compound
| Compound ID |
CP0470392
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-hexylsulfanyl-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C24H30F4N2O3S2
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| Molecular Weight |
534.641
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| Canonical SMILES |
CCCCCCSc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C24H30F4N2O3S2/c1-4-5-6-7-12-34-22-14-19(24(26,27)28)10-8-18(22)15-29-23(31)16(2)17-9-11-21(20(25)13-17)30-35(3,32)33/h8-11,13-14,16,30H,4-7,12,15H2,1-3H3,(H,29,31)
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| InChIKey |
SMFAQDNMOWGBSL-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