General Information of the Compound
| Compound ID |
CP0550242
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| Compound Name |
4-[5-[3-[[2-(3-carboxy-3-methylbutanoyl)-4-fluoro-6-methoxy-1-benzothiophen-5-yl]oxy]propoxy]-4-fluoro-6-methoxy-1-benzothiophen-2-yl]-2,2-dimethyl-4-oxobutanoic acid
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| Structure |
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| Formula |
C33H34F2O10S2
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| Molecular Weight |
692.755
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| Canonical SMILES |
COc1cc2sc(cc2c(F)c1OCCCOc1c(OC)cc2sc(cc2c1F)C(=O)CC(C)(C)C(O)=O)C(=O)CC(C)(C)C(O)=O
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| InChI |
InChI=1S/C33H34F2O10S2/c1-32(2,30(38)39)14-18(36)24-10-16-22(46-24)12-20(42-5)28(26(16)34)44-8-7-9-45-29-21(43-6)13-23-17(27(29)35)11-25(47-23)19(37)15-33(3,4)31(40)41/h10-13H,7-9,14-15H2,1-6H3,(H,38,39)(H,40,41)
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| InChIKey |
XTQHWCWWQYLTHK-UHFFFAOYSA-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