General Information of the Compound
| Compound ID |
CP0883340
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| Compound Name |
6-[(1R)-1-(3-benzyl-3-fluoroazetidin-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 |
C22H26FN5O2
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| Molecular Weight |
411.481
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| Canonical SMILES |
C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(F)(Cc2ccccc2)C1
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| InChI |
InChI=1S/C22H26FN5O2/c1-15(27-13-22(23,14-27)11-16-5-3-2-4-6-16)19-25-20-18(21(29)26-19)12-24-28(20)17-7-9-30-10-8-17/h2-6,12,15,17H,7-11,13-14H2,1H3,(H,25,26,29)/t15-/m1/s1
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| InChIKey |
UUXWBMKQSULUBW-OAHLLOKOSA-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