General Information of the Compound
| Compound ID |
CP0109552
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| Compound Name |
[3-(4-fluorophenyl)-6-hydroxy-1-benzothiophen-2-yl]-(4-methylsulfonylphenyl)methanone
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| Structure |
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| Formula |
C22H15FO4S2
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| Molecular Weight |
426.49
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H15FO4S2/c1-29(26,27)17-9-4-14(5-10-17)21(25)22-20(13-2-6-15(23)7-3-13)18-11-8-16(24)12-19(18)28-22/h2-12,24H,1H3
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| InChIKey |
PAXGRLPLZISMOU-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