General Information of the Compound
| Compound ID |
CP0849712
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| Compound Name |
2-(5-(1-(2-aminopyrimidin-5-yl)ethoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)thieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C20H14BrFN4O3S
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| Molecular Weight |
489.326
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| Canonical SMILES |
CC(Oc1cc(/C=C2\Sc3ncccc3C2=O)c(Br)c(F)c1O)c1cnc(N)nc1
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| InChI |
InChI=1S/C20H14BrFN4O3S/c1-9(11-7-25-20(23)26-8-11)29-13-5-10(15(21)16(22)18(13)28)6-14-17(27)12-3-2-4-24-19(12)30-14/h2-9,28H,1H3,(H2,23,25,26)/b14-6-
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| InChIKey |
SABDAURUMYTCEK-NSIKDUERSA-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