General Information of the Compound
| Compound ID |
CP0465808
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| Compound Name |
4-[8-methyl-9-[[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methyl]purin-6-yl]morpholine
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| Structure |
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| Formula |
C23H22N8O
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| Molecular Weight |
426.484
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| Canonical SMILES |
Cc1nc2c(ncnc2n1Cc1ccc(cc1)-c1cnc2[nH]ncc2c1)N1CCOCC1
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| InChI |
InChI=1S/C23H22N8O/c1-15-28-20-22(30-6-8-32-9-7-30)25-14-26-23(20)31(15)13-16-2-4-17(5-3-16)18-10-19-12-27-29-21(19)24-11-18/h2-5,10-12,14H,6-9,13H2,1H3,(H,24,27,29)
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| InChIKey |
ZFQDRMAPFWLZJT-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