General Information of the Compound
| Compound ID |
CP0543545
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| Compound Name |
(E)-3-[4-[[2-[3-(1,1-difluoroethyl)-4-fluorophenyl]-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H17F3O4S
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| Molecular Weight |
470.468
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| Canonical SMILES |
CC(F)(F)c1cc(ccc1F)-c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C25H17F3O4S/c1-25(27,28)19-12-15(5-10-20(19)26)24-23(18-9-6-16(29)13-21(18)33-24)32-17-7-2-14(3-8-17)4-11-22(30)31/h2-13,29H,1H3,(H,30,31)/b11-4+
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| InChIKey |
ILJHRHXDKVDOTK-NYYWCZLTSA-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