General Information of the Compound
| Compound ID |
CP0409480
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| Compound Name |
3-methyl-4-[2-(5-methylpyrazol-1-yl)ethoxy]-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C18H19N9O2
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| Molecular Weight |
393.411
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| Canonical SMILES |
Cc1ccnn1CCOC1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C18H19N9O2/c1-10-3-4-23-26(10)5-6-29-12-7-13(28)24-17-14(12)11(2)25-27(17)18-15-16(20-8-19-15)21-9-22-18/h3-4,8-9,12H,5-7H2,1-2H3,(H,24,28)(H,19,20,21,22)
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| InChIKey |
QVVJXNKRJAXPAL-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