General Information of the Compound
| Compound ID |
CP0816866
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| Compound Name |
1-Cyclobutyl-6-{(1R)-1-[3-(pyrimidin-2-yloxy)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H21N7O2
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| Molecular Weight |
367.413
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| Canonical SMILES |
C[C@H](c1nc2c(cnn2C2CCC2)c(=O)[nH]1)N1CC(Oc2ncccn2)C1
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| InChI |
InChI=1S/C18H21N7O2/c1-11(24-9-13(10-24)27-18-19-6-3-7-20-18)15-22-16-14(17(26)23-15)8-21-25(16)12-4-2-5-12/h3,6-8,11-13H,2,4-5,9-10H2,1H3,(H,22,23,26)/t11-/m1/s1
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| InChIKey |
RWEDODZULSJMIG-LLVKDONJSA-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