General Information of the Compound
| Compound ID |
CP0273836
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| Compound Name |
1-[1-(3-fluorophenyl)ethyl]-N-[[4-(methylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
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| Structure |
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| Formula |
C27H24F4N2O3S
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| Molecular Weight |
532.559
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| Canonical SMILES |
CC(c1cccc(F)c1)n1ccc2cc(ccc12)C(=O)NCc1ccc(CS(C)(=O)=O)cc1C(F)(F)F
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| InChI |
InChI=1S/C27H24F4N2O3S/c1-17(19-4-3-5-23(28)14-19)33-11-10-20-13-21(8-9-25(20)33)26(34)32-15-22-7-6-18(16-37(2,35)36)12-24(22)27(29,30)31/h3-14,17H,15-16H2,1-2H3,(H,32,34)
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| InChIKey |
MTALJZKGMWQYHH-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