General Information of the Compound
| Compound ID |
CP0859867
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| Compound Name |
5-(5-(2-(2-aminopyrimidin-5-yl)-2-oxoethoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C17H12BrFN4O5S
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| Molecular Weight |
483.275
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCC(=O)c3cnc(N)nc3)c(O)c(F)c2Br)C1=O
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| InChI |
InChI=1S/C17H12BrFN4O5S/c1-23-15(26)11(29-17(23)27)3-7-2-10(14(25)13(19)12(7)18)28-6-9(24)8-4-21-16(20)22-5-8/h2-5,25H,6H2,1H3,(H2,20,21,22)/b11-3-
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| InChIKey |
IKBDOMQIISCICO-JYOAFUTRSA-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