General Information of the Compound
| Compound ID |
CP0456999
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| Compound Name |
4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C19H21N9O2
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| Molecular Weight |
407.438
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| Canonical SMILES |
Cc1cc(C)n(CCOC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)n1
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| InChI |
InChI=1S/C19H21N9O2/c1-10-6-11(2)27(25-10)4-5-30-13-7-14(29)24-18-15(13)12(3)26-28(18)19-16-17(21-8-20-16)22-9-23-19/h6,8-9,13H,4-5,7H2,1-3H3,(H,24,29)(H,20,21,22,23)
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| InChIKey |
RJSXROKSDZHIPI-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