General Information of the Compound
| Compound ID |
CP0849730
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| Compound Name |
5-(5-((4-aminopyrimidin-5-yl)methoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C16H12BrFN4O4S
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| Molecular Weight |
455.265
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCc3cncnc3N)c(O)c(F)c2Br)C1=O
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| InChI |
InChI=1S/C16H12BrFN4O4S/c1-22-15(24)10(27-16(22)25)3-7-2-9(13(23)12(18)11(7)17)26-5-8-4-20-6-21-14(8)19/h2-4,6,23H,5H2,1H3,(H2,19,20,21)/b10-3-
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| InChIKey |
OBEGSNQHRINCIE-KMKOMSMNSA-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