General Information of the Compound
| Compound ID |
CP0877269
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| Compound Name |
2-(5-((2-amino-4-cyclopropylpyrimidin-5-yl)methoxy)-2-bromo-4-hydroxybenzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C22H17BrN4O3S
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| Molecular Weight |
497.374
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| Canonical SMILES |
Nc1ncc(COc2cc(/C=C3\Sc4ncccc4C3=O)c(Br)cc2O)c(C2CC2)n1
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| InChI |
InChI=1S/C22H17BrN4O3S/c23-15-8-16(28)17(30-10-13-9-26-22(24)27-19(13)11-3-4-11)6-12(15)7-18-20(29)14-2-1-5-25-21(14)31-18/h1-2,5-9,11,28H,3-4,10H2,(H2,24,26,27)/b18-7-
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| InChIKey |
RTDUHCBEYYZOCY-WSVATBPTSA-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