General Information of the Compound
| Compound ID |
CP0850115
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| Compound Name |
5-(2-bromo-3-fluoro-4-hydroxy-5-((2-(pyridin-3-ylmethylamino)pyrimidin-5-yl)methoxy)benzylidene)-3-methylthiazolidine-2,4-dione
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| Structure |
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| Formula |
C22H17BrFN5O4S
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| Molecular Weight |
546.378
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| Canonical SMILES |
CN1C(=O)S/C(=C\c2cc(OCc3cnc(NCc4cccnc4)nc3)c(O)c(F)c2Br)C1=O
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| InChI |
InChI=1S/C22H17BrFN5O4S/c1-29-20(31)16(34-22(29)32)6-14-5-15(19(30)18(24)17(14)23)33-11-13-9-27-21(28-10-13)26-8-12-3-2-4-25-7-12/h2-7,9-10,30H,8,11H2,1H3,(H,26,27,28)/b16-6-
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| InChIKey |
YQVQKHZFMXRBQU-SOFYXZRVSA-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