General Information of the Compound
| Compound ID |
CP0504104
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| Compound Name |
Benzo[b]thiophene-2-carboxylic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
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| Structure |
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| Formula |
C22H13F6NO2S
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| Molecular Weight |
469.406
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| Canonical SMILES |
OC(c1ccc2ccccc2c1NC(=O)c1cc2ccccc2s1)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C22H13F6NO2S/c23-21(24,25)20(31,22(26,27)28)15-10-9-12-5-1-3-7-14(12)18(15)29-19(30)17-11-13-6-2-4-8-16(13)32-17/h1-11,31H,(H,29,30)
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| InChIKey |
OUWXFDFRZJGRRH-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