General Information of the Compound
| Compound ID |
CP0572637
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| Compound Name |
2-(1H-indol-3-ylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
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| Formula |
C18H15F3N2OS
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| Molecular Weight |
364.392
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| Canonical SMILES |
FC(F)(F)c1ccc(CNC(=O)CSc2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C18H15F3N2OS/c19-18(20,21)13-7-5-12(6-8-13)9-23-17(24)11-25-16-10-22-15-4-2-1-3-14(15)16/h1-8,10,22H,9,11H2,(H,23,24)
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| InChIKey |
KIQWPBPPGBRNDL-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