General Information of the Compound
| Compound ID |
CP0538620
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| Compound Name |
1-(3-methylbenzo[b]thiophen-2-yl)-2-(phenylsulfonyl)ethanone
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| Structure |
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| Formula |
C17H14O3S2
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| Molecular Weight |
330.43
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| Canonical SMILES |
Cc1c(sc2ccccc12)C(=O)CS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C17H14O3S2/c1-12-14-9-5-6-10-16(14)21-17(12)15(18)11-22(19,20)13-7-3-2-4-8-13/h2-10H,11H2,1H3
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| InChIKey |
OFJXJEVECAIRCB-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