General Information of the Compound
| Compound ID |
CP0413647
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| Compound Name |
3-methyl-1-(7H-purin-6-yl)-4-(2-pyrazol-1-ylethoxy)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C17H17N9O2
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| Molecular Weight |
379.384
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(OCCn3cccn3)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C17H17N9O2/c1-10-13-11(28-6-5-25-4-2-3-22-25)7-12(27)23-16(13)26(24-10)17-14-15(19-8-18-14)20-9-21-17/h2-4,8-9,11H,5-7H2,1H3,(H,23,27)(H,18,19,20,21)
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| InChIKey |
QHCJDKPMESIRBV-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