General Information of the Compound
| Compound ID |
CP0510879
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| Compound Name |
2-(3-bromo-4-fluorophenyl)-N-isobutyl-4-oxo-3-(2-(pyridin-2-yl)ethyl)thiazolidine-5-carboxamide
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| Structure |
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| Formula |
C21H23BrFN3O2S
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| Molecular Weight |
480.403
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| Canonical SMILES |
CC(C)CNC(=O)C1SC(N(CCc2ccccn2)C1=O)c1ccc(F)c(Br)c1
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| InChI |
InChI=1S/C21H23BrFN3O2S/c1-13(2)12-25-19(27)18-20(28)26(10-8-15-5-3-4-9-24-15)21(29-18)14-6-7-17(23)16(22)11-14/h3-7,9,11,13,18,21H,8,10,12H2,1-2H3,(H,25,27)
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| InChIKey |
GICHLNQZBLBXIN-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