General Information of the Compound
| Compound ID |
CP0534789
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| Compound Name |
(E)-2-(4-((6-hydroxy-2- (4- hydroxyphenyl)benzo [b]thiophen-3- yl)oxy)benzylidene) butanoic acid
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| Structure |
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| Formula |
C25H20O5S
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| Molecular Weight |
432.497
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| Canonical SMILES |
CC\C(=C/c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1)C(O)=O
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| InChI |
InChI=1S/C25H20O5S/c1-2-16(25(28)29)13-15-3-10-20(11-4-15)30-23-21-12-9-19(27)14-22(21)31-24(23)17-5-7-18(26)8-6-17/h3-14,26-27H,2H2,1H3,(H,28,29)/b16-13+
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| InChIKey |
FUIXRRABQJPEAL-DTQAZKPQSA-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