General Information of the Compound
| Compound ID |
CP0773280
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| Compound Name |
6-(1-{3-[(6-methylpyridazin-3-yl)oxy]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 |
C20H25N7O3
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| Molecular Weight |
411.466
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| Canonical SMILES |
Cc1ccc(OC2CN(C(C)c3nc4c(cnn4C4CCOCC4)c(=O)[nH]3)C2)nn1
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| InChI |
InChI=1S/C20H25N7O3/c1-12-3-4-17(25-24-12)30-15-10-26(11-15)13(2)18-22-19-16(20(28)23-18)9-21-27(19)14-5-7-29-8-6-14/h3-4,9,13-15H,5-8,10-11H2,1-2H3,(H,22,23,28)
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| InChIKey |
NHDVOCLYBVHTOC-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