General Information of the Compound
| Compound ID |
CP0253997
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| Compound Name |
6-(4-(5-fluoro-6-methylpyridin-2-yl)-2-(4-(methylsulfonyl)piperazin-1-yl)-1H-imidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridine
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| Structure |
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| Formula |
C20H21FN8O2S
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| Molecular Weight |
456.507
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| Canonical SMILES |
Cc1nc(ccc1F)-c1nc([nH]c1-c1ccc2ncnn2c1)N1CCN(CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C20H21FN8O2S/c1-13-15(21)4-5-16(24-13)19-18(14-3-6-17-22-12-23-29(17)11-14)25-20(26-19)27-7-9-28(10-8-27)32(2,30)31/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)
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| InChIKey |
BJFZENQVDHGYIC-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