General Information of the Compound
| Compound ID |
CP0941685
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| Compound Name |
3,5-dimethyl-4-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)isoxazole
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| Structure |
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| Formula |
C17H22N6O
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| Molecular Weight |
326.404
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| Canonical SMILES |
Cc1noc(C)c1-c1ncnc2c1cnn2CCN1CCCCC1
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| InChI |
InChI=1S/C17H22N6O/c1-12-15(13(2)24-21-12)16-14-10-20-23(17(14)19-11-18-16)9-8-22-6-4-3-5-7-22/h10-11H,3-9H2,1-2H3
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| InChIKey |
GSZUIMXFAPRHHE-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