General Information of the Compound
| Compound ID |
CP0484562
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| Compound Name |
2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[2-(3-propylsulfonylphenyl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C24H23NO5S2
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| Molecular Weight |
469.584
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| Canonical SMILES |
CCCS(=O)(=O)c1cccc(c1)C#Cc1c(OCC(O)=O)cccc1-c1sc(C)nc1C
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| InChI |
InChI=1S/C24H23NO5S2/c1-4-13-32(28,29)19-8-5-7-18(14-19)11-12-20-21(24-16(2)25-17(3)31-24)9-6-10-22(20)30-15-23(26)27/h5-10,14H,4,13,15H2,1-3H3,(H,26,27)
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| InChIKey |
BNBIDNFUFJZMEW-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