General Information of the Compound
| Compound ID |
CP0893172
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| Compound Name |
4-phenyl-1-[2-(piperidin-1-yl)ethyl]-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C18H21N5
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| Molecular Weight |
307.401
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| Canonical SMILES |
c1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1
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| InChI |
InChI=1S/C18H21N5/c1-3-7-15(8-4-1)17-16-13-21-23(18(16)20-14-19-17)12-11-22-9-5-2-6-10-22/h1,3-4,7-8,13-14H,2,5-6,9-12H2
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| InChIKey |
DQNNPUXVTJZUSP-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