General Information of the Compound
| Compound ID |
CP0566540
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| Compound Name |
4-[2-(4-methoxyphenyl)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 |
C21H21N7O3
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| Molecular Weight |
419.445
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| Canonical SMILES |
COc1ccc(CCOC2CC(=O)Nc3c2c(C)nn3-c2ncnc3nc[nH]c23)cc1
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| InChI |
InChI=1S/C21H21N7O3/c1-12-17-15(31-8-7-13-3-5-14(30-2)6-4-13)9-16(29)26-20(17)28(27-12)21-18-19(23-10-22-18)24-11-25-21/h3-6,10-11,15H,7-9H2,1-2H3,(H,26,29)(H,22,23,24,25)
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| InChIKey |
KGDIZRLADJJTLC-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