General Information of the Compound
| Compound ID |
CP0510975
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| Compound Name |
N-[3-methyl-6-oxo-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-yl]benzamide
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| Structure |
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| Formula |
C19H16N8O2
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| Molecular Weight |
388.391
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(NC(=O)c3ccccc3)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C19H16N8O2/c1-10-14-12(24-19(29)11-5-3-2-4-6-11)7-13(28)25-17(14)27(26-10)18-15-16(21-8-20-15)22-9-23-18/h2-6,8-9,12H,7H2,1H3,(H,24,29)(H,25,28)(H,20,21,22,23)
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| InChIKey |
HKEHFHGKBCNYFE-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