General Information of the Compound
| Compound ID |
CP0882349
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| Compound Name |
2-(5-((2-amino-4-methylpyrimidin-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 |
C20H15BrN4O3S
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| Molecular Weight |
471.336
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| Canonical SMILES |
Cc1nc(N)ncc1COc1cc(/C=C2\Sc3ncccc3C2=O)c(Br)cc1O
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| InChI |
InChI=1S/C20H15BrN4O3S/c1-10-12(8-24-20(22)25-10)9-28-16-5-11(14(21)7-15(16)26)6-17-18(27)13-3-2-4-23-19(13)29-17/h2-8,26H,9H2,1H3,(H2,22,24,25)/b17-6-
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| InChIKey |
XIPMHTAPEVZGAX-FMQZQXMHSA-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