General Information of the Compound
| Compound ID |
CP0804184
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| Compound Name |
6-(1-{3-[(4,6-dimethylpyrimidin-2-yl)oxy]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 |
C21H27N7O3
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| Molecular Weight |
425.493
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| Canonical SMILES |
Cc1cc(C)nc(OC2CN(C(C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)n1
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| InChI |
InChI=1S/C21H27N7O3/c1-12-8-13(2)24-21(23-12)31-16-10-27(11-16)14(3)18-25-19-17(20(29)26-18)9-22-28(19)15-4-6-30-7-5-15/h8-9,14-16H,4-7,10-11H2,1-3H3,(H,25,26,29)
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| InChIKey |
XPFQKLCMFBPHFA-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