General Information of the Compound
| Compound ID |
CP0457723
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| Compound Name |
2-(5-(2-(2-(4-chlorophenyl)-4-methylthiazol-5-yl)ethoxy)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoic acid
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| Structure |
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| Formula |
C29H32ClF3N2O5SSi
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| Molecular Weight |
641.184
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| Canonical SMILES |
Cc1nc(sc1CCOc1ccc2n(COCC[Si](C)(C)C)cc(c2c1)C(O)(C(O)=O)C(F)(F)F)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H32ClF3N2O5SSi/c1-18-25(41-26(34-18)19-5-7-20(30)8-6-19)11-12-40-21-9-10-24-22(15-21)23(28(38,27(36)37)29(31,32)33)16-35(24)17-39-13-14-42(2,3)4/h5-10,15-16,38H,11-14,17H2,1-4H3,(H,36,37)
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| InChIKey |
SNCCLXGFWUSVQM-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