General Information of the Compound
| Compound ID |
CP0538802
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| Compound Name |
(E)-3-(4-((6-hydroxy-2- (2-(trifluoromethyl)- phenyl)benzo[b] thiophen-3-yl)oxy) phenyl)-acrylic acid
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| Structure |
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| Formula |
C24H15F3O4S
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| Molecular Weight |
456.441
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Oc2c(sc3cc(O)ccc23)-c2ccccc2C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H15F3O4S/c25-24(26,27)19-4-2-1-3-17(19)23-22(18-11-8-15(28)13-20(18)32-23)31-16-9-5-14(6-10-16)7-12-21(29)30/h1-13,28H,(H,29,30)/b12-7+
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| InChIKey |
PFPQNSORFLKTRJ-KPKJPENVSA-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