General Information of the Compound
| Compound ID |
CP0540431
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| Compound Name |
N,3-dimethyl-6-oxo-N-phenyl-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 |
C20H18N8O2
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| Molecular Weight |
402.418
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| Canonical SMILES |
CN(C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1ccccc1
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| InChI |
InChI=1S/C20H18N8O2/c1-11-15-13(20(30)27(2)12-6-4-3-5-7-12)8-14(29)25-18(15)28(26-11)19-16-17(22-9-21-16)23-10-24-19/h3-7,9-10,13H,8H2,1-2H3,(H,25,29)(H,21,22,23,24)
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| InChIKey |
LLBSRZXNLGNTSZ-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