General Information of the Compound
| Compound ID |
CP0955568
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| Compound Name |
5-(5-((4-amino-2-chloropyrimidin-5-yl)methoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C16H11BrClFN4O4S
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| Molecular Weight |
489.71
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCc3cnc(Cl)nc3N)c(O)c(F)c2Br)C1=O
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| InChI |
InChI=1S/C16H11BrClFN4O4S/c1-23-14(25)9(28-16(23)26)3-6-2-8(12(24)11(19)10(6)17)27-5-7-4-21-15(18)22-13(7)20/h2-4,24H,5H2,1H3,(H2,20,21,22)/b9-3-
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| InChIKey |
PGDSVDWZPGNUSK-OQFOIZHKSA-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