General Information of the Compound
| Compound ID |
CP0046866
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| Compound Name |
4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-((methylamino)methyl)-1H-imidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol
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| Structure |
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| Formula |
C17H21N7O2
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| Molecular Weight |
355.402
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| Canonical SMILES |
CCn1c(nc2c(nc(CNC)cc12)C#CC(C)(C)O)-c1nonc1N
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| InChI |
InChI=1S/C17H21N7O2/c1-5-24-12-8-10(9-19-4)20-11(6-7-17(2,3)25)13(12)21-16(24)14-15(18)23-26-22-14/h8,19,25H,5,9H2,1-4H3,(H2,18,23)
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| InChIKey |
AXILYJJKIDQSFE-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