General Information of the Compound
| Compound ID |
CP0543615
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| Compound Name |
7-methyl-9-(1-methylpiperidin-4-yl)-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
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| Structure |
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| Formula |
C19H23N9O
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| Molecular Weight |
393.455
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| Canonical SMILES |
CN1CCC(CC1)n1c2nc(Nc3cn4ncnc4cc3C)ncc2n(C)c1=O
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| InChI |
InChI=1S/C19H23N9O/c1-12-8-16-21-11-22-27(16)10-14(12)23-18-20-9-15-17(24-18)28(19(29)26(15)3)13-4-6-25(2)7-5-13/h8-11,13H,4-7H2,1-3H3,(H,20,23,24)
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| InChIKey |
UGNHLWUNKPACLB-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