General Information of the Compound
| Compound ID |
CP0437822
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| Compound Name |
3-(2-(pyridin-2-yl)ethyl)-2-(3-(trifluoromethyl)phenyl)thiazolidin-4-one
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| Structure |
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| Formula |
C17H15F3N2OS
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| Molecular Weight |
352.381
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C1SCC(=O)N1CCc1ccccn1
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| InChI |
InChI=1S/C17H15F3N2OS/c18-17(19,20)13-5-3-4-12(10-13)16-22(15(23)11-24-16)9-7-14-6-1-2-8-21-14/h1-6,8,10,16H,7,9,11H2
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| InChIKey |
HWOBPIKCLUVNFH-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