General Information of the Compound
| Compound ID |
CP0894459
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| Compound Name |
2-(5-(1-(2-aminopyrimidin-5-yl)ethoxy)-2-bromo-3-fluoro-4-hydroxybenzylidene)-5-fluorothieno[2,3-b]pyridin-3(2H)-one
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| Structure |
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| Formula |
C20H13BrF2N4O3S
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| Molecular Weight |
507.316
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| Canonical SMILES |
CC(Oc1cc(/C=C2\Sc3ncc(F)cc3C2=O)c(Br)c(F)c1O)c1cnc(N)nc1
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| InChI |
InChI=1S/C20H13BrF2N4O3S/c1-8(10-5-26-20(24)27-6-10)30-13-2-9(15(21)16(23)18(13)29)3-14-17(28)12-4-11(22)7-25-19(12)31-14/h2-8,29H,1H3,(H2,24,26,27)/b14-3-
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| InChIKey |
JZDMUOJWWUMVNB-BNNQUZSASA-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