General Information of the Compound
| Compound ID |
CP0955056
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| Compound Name |
6-{1-[3-(pyrimidin-4-yloxy)azetidin-1-yl]ethyl}-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 |
C19H23N7O3
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| Molecular Weight |
397.439
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| Canonical SMILES |
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccncn2)C1
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| InChI |
InChI=1S/C19H23N7O3/c1-12(25-9-14(10-25)29-16-2-5-20-11-21-16)17-23-18-15(19(27)24-17)8-22-26(18)13-3-6-28-7-4-13/h2,5,8,11-14H,3-4,6-7,9-10H2,1H3,(H,23,24,27)
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| InChIKey |
XGSQWRATKLLEQS-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