General Information of the Compound
| Compound ID |
CP0458515
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| Compound Name |
(E)-3-(4-((6-hydroxy-2- (4-hydroxyphenyl)- benzo[b]thiophen-3- yl)oxy)phenyl)but-2- enoic acid
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| Structure |
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| Formula |
C24H18O5S
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| Molecular Weight |
418.47
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| Canonical SMILES |
C\C(=C/C(O)=O)c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C24H18O5S/c1-14(12-22(27)28)15-4-9-19(10-5-15)29-23-20-11-8-18(26)13-21(20)30-24(23)16-2-6-17(25)7-3-16/h2-13,25-26H,1H3,(H,27,28)/b14-12+
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| InChIKey |
RTAIPQHYTUMJNG-WYMLVPIESA-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