General Information of the Compound
| Compound ID |
CP0476843
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridine-4-carboxamide
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| Structure |
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| Formula |
C21H18N8O4
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| Molecular Weight |
446.427
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(C(=O)NCc3ccc4OCOc4c3)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C21H18N8O4/c1-10-16-12(21(31)22-6-11-2-3-13-14(4-11)33-9-32-13)5-15(30)27-19(16)29(28-10)20-17-18(24-7-23-17)25-8-26-20/h2-4,7-8,12H,5-6,9H2,1H3,(H,22,31)(H,27,30)(H,23,24,25,26)
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| InChIKey |
QBBQZRRHYAPUAL-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