General Information of the Compound
| Compound ID |
CP0528454
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| Compound Name |
3-isobutyl-2-(3-(4-vinylphenyl)pyridin-4-yl)thiazolidin-4-one
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| Structure |
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| Formula |
C20H22N2OS
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| Molecular Weight |
338.476
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| Canonical SMILES |
CC(C)CN1C(SCC1=O)c1ccncc1-c1ccc(C=C)cc1
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| InChI |
InChI=1S/C20H22N2OS/c1-4-15-5-7-16(8-6-15)18-11-21-10-9-17(18)20-22(12-14(2)3)19(23)13-24-20/h4-11,14,20H,1,12-13H2,2-3H3
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| InChIKey |
GRPUZHCGDQUWQT-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