General Information of the Compound
| Compound ID |
CP0557900
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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]-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C18H16N8O2S
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| Molecular Weight |
408.447
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(NC(=O)Cc3cccs3)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C18H16N8O2S/c1-9-14-11(23-12(27)5-10-3-2-4-29-10)6-13(28)24-17(14)26(25-9)18-15-16(20-7-19-15)21-8-22-18/h2-4,7-8,11H,5-6H2,1H3,(H,23,27)(H,24,28)(H,19,20,21,22)
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| InChIKey |
QCCPAFIJPPQUPR-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