General Information of the Compound
| Compound ID |
CP0942946
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| Compound Name |
6-{1-[3-(quinazolin-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 |
C23H25N7O3
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| Molecular Weight |
447.499
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| Canonical SMILES |
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ncc3ccccc3n2)C1
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| InChI |
InChI=1S/C23H25N7O3/c1-14(29-12-17(13-29)33-23-24-10-15-4-2-3-5-19(15)26-23)20-27-21-18(22(31)28-20)11-25-30(21)16-6-8-32-9-7-16/h2-5,10-11,14,16-17H,6-9,12-13H2,1H3,(H,27,28,31)
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| InChIKey |
ZTZYZZGKVUCEOE-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