General Information of the Compound
| Compound ID |
CP0492812
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| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(2-hydroxypyridin-4-yl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C23H16F2N2O3S
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| Molecular Weight |
438.455
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| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1cc[nH]c(=O)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H16F2N2O3S/c24-16-5-1-13(2-6-16)21(14-3-7-17(25)8-4-14)23-27-22(18(31-23)12-20(29)30)15-9-10-26-19(28)11-15/h1-11,21H,12H2,(H,26,28)(H,29,30)
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| InChIKey |
FLTNNZOHEGRXEZ-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