General Information of the Compound
| Compound ID |
CP0863066
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| Compound Name |
6-{1-[3-(4-methylphenoxy)azetidin-1-yl]propyl}-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 |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
CCC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(C)cc2)C1
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| InChI |
InChI=1S/C23H29N5O3/c1-3-20(27-13-18(14-27)31-17-6-4-15(2)5-7-17)21-25-22-19(23(29)26-21)12-24-28(22)16-8-10-30-11-9-16/h4-7,12,16,18,20H,3,8-11,13-14H2,1-2H3,(H,25,26,29)
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| InChIKey |
XWFZLDCSQVPDSP-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