General Information of the Compound
| Compound ID |
CP0859690
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| Compound Name |
2-(2-bromo-4-hydroxy-5-((2-methylpyrimidin-5-yl)methoxy)benzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C20H14BrN3O3S
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| Molecular Weight |
456.321
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| Canonical SMILES |
Cc1ncc(COc2cc(/C=C3\Sc4ncccc4C3=O)c(Br)cc2O)cn1
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| InChI |
InChI=1S/C20H14BrN3O3S/c1-11-23-8-12(9-24-11)10-27-17-5-13(15(21)7-16(17)25)6-18-19(26)14-3-2-4-22-20(14)28-18/h2-9,25H,10H2,1H3/b18-6-
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| InChIKey |
XMPUJPIZXFZLRC-FXBPXSCXSA-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