General Information of the Compound
| Compound ID |
CP0178147
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| Compound Name |
1-[2-hydroxy-5-(6-hydroxy-1-benzothiophen-2-yl)phenyl]ethan-1-one
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| Structure |
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| Formula |
C16H12O3S
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| Molecular Weight |
284.336
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| Canonical SMILES |
CC(=O)c1cc(ccc1O)-c1cc2ccc(O)cc2s1
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| InChI |
InChI=1S/C16H12O3S/c1-9(17)13-6-10(3-5-14(13)19)15-7-11-2-4-12(18)8-16(11)20-15/h2-8,18-19H,1H3
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| InChIKey |
OMWHRKOJZOAICL-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