General Information of the Compound
| Compound ID |
CP0072230
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| Compound Name |
2-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxypyridin-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
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| Structure |
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| Formula |
C20H21FN8O2
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| Molecular Weight |
424.44
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| Canonical SMILES |
COc1ncc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cc1F
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| InChI |
InChI=1S/C20H21FN8O2/c1-10-24-16(28-19(22)25-10)15-17(26-12-7-13(21)18(31-4)23-8-12)27-14-6-5-11(9-29(14)15)20(2,3)30/h5-9,26,30H,1-4H3,(H2,22,24,25,28)
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| InChIKey |
IYNZEXDVRAZUPW-UHFFFAOYSA-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