General Information of the Compound
| Compound ID |
CP0859695
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| Compound Name |
2-(2-bromo-3-fluoro-4-hydroxy-5-((2-(pyridin-2-ylmethylamino)pyrimidin-5-yl)methoxy)benzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C25H17BrFN5O3S
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| Molecular Weight |
566.412
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| Canonical SMILES |
O=C1/C(=C/c2cc(OCc3cnc(NCc4ccccn4)nc3)c(O)c(F)c2Br)Sc2ncccc21
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| InChI |
InChI=1S/C25H17BrFN5O3S/c26-20-15(9-19-22(33)17-5-3-7-29-24(17)36-19)8-18(23(34)21(20)27)35-13-14-10-30-25(31-11-14)32-12-16-4-1-2-6-28-16/h1-11,34H,12-13H2,(H,30,31,32)/b19-9-
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| InChIKey |
KKODXJPWGUKQDE-OCKHKDLRSA-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