General Information of the Compound
| Compound ID |
CP0519322
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| Compound Name |
2-(4-ethylsulfonylphenyl)-N-[4-[[propyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]acetamide
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| Structure |
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| Formula |
C28H31F3N2O3S
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| Molecular Weight |
532.628
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| Canonical SMILES |
CCCN(Cc1ccc(NC(=O)Cc2ccc(cc2)S(=O)(=O)CC)cc1)Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H31F3N2O3S/c1-3-17-33(19-22-5-11-24(12-6-22)28(29,30)31)20-23-7-13-25(14-8-23)32-27(34)18-21-9-15-26(16-10-21)37(35,36)4-2/h5-16H,3-4,17-20H2,1-2H3,(H,32,34)
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| InChIKey |
VQUKELFGZIHDQR-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