General Information of the Compound
| Compound ID |
CP0534067
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| Compound Name |
1-(3-fluorophenyl)sulfonyl-N-[[4-(methylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
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| Structure |
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| Formula |
C25H20F4N2O5S2
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| Molecular Weight |
568.57
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| Canonical SMILES |
CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc3n(ccc3c2)S(=O)(=O)c2cccc(F)c2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H20F4N2O5S2/c1-37(33,34)15-16-5-6-19(22(11-16)25(27,28)29)14-30-24(32)18-7-8-23-17(12-18)9-10-31(23)38(35,36)21-4-2-3-20(26)13-21/h2-13H,14-15H2,1H3,(H,30,32)
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| InChIKey |
RJGNSMAVUQZRFP-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