General Information of the Compound
| Compound ID |
CP0039447
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| Compound Name |
5-(2-(benzyloxy)benzyl)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
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| Structure |
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| Formula |
C22H22N4O2
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| Molecular Weight |
374.444
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| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(Cc1ccccc1OCc1ccccc1)[nH]c2=O
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| InChI |
InChI=1S/C22H22N4O2/c1-14(2)19-20-21(26-25-19)22(27)24-18(23-20)12-16-10-6-7-11-17(16)28-13-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,25,26)(H,23,24,27)
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| InChIKey |
ZQBYOGSAPCTBKD-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