General Information of the Compound
| Compound ID |
CP0457840
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| Compound Name |
(E)-3-(4-((6-hydroxy-2- phenylbenzo[b]thiophen- 3-yl)oxy)phenyl)- acrylic acid
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| Structure |
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| Formula |
C23H16O4S
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| Molecular Weight |
388.444
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H16O4S/c24-17-9-12-19-20(14-17)28-23(16-4-2-1-3-5-16)22(19)27-18-10-6-15(7-11-18)8-13-21(25)26/h1-14,24H,(H,25,26)/b13-8+
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| InChIKey |
FEDWJIBGFMNAAB-MDWZMJQESA-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