General Information of the Compound
| Compound ID |
CP0883338
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| Compound Name |
6-{1-[3-(pyridin-2-yloxy)azetidin-1-yl]propyl}-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C21H26N6O3
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| Molecular Weight |
410.478
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| Canonical SMILES |
CCC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccccn2)C1
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| InChI |
InChI=1S/C21H26N6O3/c1-2-17(26-12-15(13-26)30-18-5-3-4-8-22-18)19-24-20-16(21(28)25-19)11-23-27(20)14-6-9-29-10-7-14/h3-5,8,11,14-15,17H,2,6-7,9-10,12-13H2,1H3,(H,24,25,28)
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| InChIKey |
WKSUTDBUFGBMET-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