General Information of the Compound
| Compound ID |
CP0408037
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| Compound Name |
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-methylphenyl)methanone
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| Structure |
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| Formula |
C22H16O3S
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| Molecular Weight |
360.434
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)c1c(sc2cc(O)ccc12)-c1ccc(O)cc1
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| InChI |
InChI=1S/C22H16O3S/c1-13-2-4-14(5-3-13)21(25)20-18-11-10-17(24)12-19(18)26-22(20)15-6-8-16(23)9-7-15/h2-12,23-24H,1H3
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| InChIKey |
VBWCDXJRQBKNIN-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