General Information of the Compound
| Compound ID |
CP0952682
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| Compound Name |
1-isopropyl-6-[1-(3-phenoxyazetidin-1-yl)propyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H25N5O2
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| Molecular Weight |
367.453
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| Canonical SMILES |
CCC(c1nc2c(cnn2C(C)C)c(=O)[nH]1)N1CC(Oc2ccccc2)C1
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| InChI |
InChI=1S/C20H25N5O2/c1-4-17(24-11-15(12-24)27-14-8-6-5-7-9-14)18-22-19-16(20(26)23-18)10-21-25(19)13(2)3/h5-10,13,15,17H,4,11-12H2,1-3H3,(H,22,23,26)
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| InChIKey |
LQGBRKQMOXFYNN-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