General Information of the Compound
| Compound ID |
CP0380139
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| Compound Name |
N-[[4-(1,1-difluoroethyl)-2-hexoxyphenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H33F3N2O4S
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| Molecular Weight |
514.61
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| Canonical SMILES |
CCCCCCOc1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(F)F
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| InChI |
InChI=1S/C25H33F3N2O4S/c1-5-6-7-8-13-34-23-15-20(25(3,27)28)11-9-19(23)16-29-24(31)17(2)18-10-12-22(21(26)14-18)30-35(4,32)33/h9-12,14-15,17,30H,5-8,13,16H2,1-4H3,(H,29,31)
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| InChIKey |
YFNUARUHUDBNGY-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