General Information of the Compound
| Compound ID |
CP0524605
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| Compound Name |
(E)-4-methyl-6-[2-[[2-methyl-4-(2-methyl-1-benzofuran-5-yl)-1,3-thiazol-5-yl]methyl]phenoxy]hex-4-enoic acid
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| Structure |
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| Formula |
C27H27NO4S
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| Molecular Weight |
461.583
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| Canonical SMILES |
C\C(CCC(O)=O)=C/COc1ccccc1Cc1sc(C)nc1-c1ccc2oc(C)cc2c1
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| InChI |
InChI=1S/C27H27NO4S/c1-17(8-11-26(29)30)12-13-31-23-7-5-4-6-20(23)16-25-27(28-19(3)33-25)21-9-10-24-22(15-21)14-18(2)32-24/h4-7,9-10,12,14-15H,8,11,13,16H2,1-3H3,(H,29,30)/b17-12+
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| InChIKey |
BKPJCMXVERERPN-SFQUDFHCSA-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