General Information of the Compound
| Compound ID |
CP0395502
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| Compound Name |
4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyridin-4-yl)-ethyl]-N-(2-methyl-benzoyl)-benzenesulfonamide
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| Structure |
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| Formula |
C29H24F4N2O6S
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| Molecular Weight |
604.578
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| Canonical SMILES |
Cc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
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| InChI |
InChI=1S/C29H24F4N2O6S/c1-18-4-2-3-5-23(18)27(36)34-42(38,39)22-9-6-20(7-10-22)24(16-19-12-14-35(37)15-13-19)21-8-11-25(40-28(30)31)26(17-21)41-29(32)33/h2-15,17,24,28-29H,16H2,1H3,(H,34,36)
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| InChIKey |
ZRWBSLBYMVRMGN-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