General Information of the Compound
| Compound ID |
CP0458699
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| Compound Name |
N,3-dimethyl-6-oxo-1-(7H-purin-6-yl)-N-(1,3-thiazol-2-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridine-4-carboxamide
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| Structure |
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| Formula |
C17H15N9O2S
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| Molecular Weight |
409.435
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| Canonical SMILES |
CN(C(=O)C1CC(=O)Nc2c1c(C)nn2-c1ncnc2nc[nH]c12)c1nccs1
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| InChI |
InChI=1S/C17H15N9O2S/c1-8-11-9(16(28)25(2)17-18-3-4-29-17)5-10(27)23-14(11)26(24-8)15-12-13(20-6-19-12)21-7-22-15/h3-4,6-7,9H,5H2,1-2H3,(H,23,27)(H,19,20,21,22)
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| InChIKey |
JJOXJTRSCSUYCV-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