General Information of the Compound
| Compound ID |
CP0796482
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| Compound Name |
6-{1-[3-(quinolin-2-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 |
C24H26N6O3
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| Molecular Weight |
446.511
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| Canonical SMILES |
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc3ccccc3n2)C1
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| InChI |
InChI=1S/C24H26N6O3/c1-15(29-13-18(14-29)33-21-7-6-16-4-2-3-5-20(16)26-21)22-27-23-19(24(31)28-22)12-25-30(23)17-8-10-32-11-9-17/h2-7,12,15,17-18H,8-11,13-14H2,1H3,(H,27,28,31)
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| InChIKey |
BLHOZGJZRGHHKF-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