General Information of the Compound
| Compound ID |
CP0841612
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| Compound Name |
6-[(3-phenoxyazetidin-1-yl)(phenyl)methyl]-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 |
C26H27N5O3
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| Molecular Weight |
457.534
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| Canonical SMILES |
O=c1[nH]c(C(c2ccccc2)N2CC(Oc3ccccc3)C2)nc2c1cnn2C1CCOCC1
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| InChI |
InChI=1S/C26H27N5O3/c32-26-22-15-27-31(19-11-13-33-14-12-19)25(22)28-24(29-26)23(18-7-3-1-4-8-18)30-16-21(17-30)34-20-9-5-2-6-10-20/h1-10,15,19,21,23H,11-14,16-17H2,(H,28,29,32)
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| InChIKey |
NKGAHWABZMSASJ-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