General Information of the Compound
| Compound ID |
CP0903013
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| Compound Name |
4-(1-methyl-1H-pyrrol-2-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C17H22N6
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| Molecular Weight |
310.405
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| Canonical SMILES |
Cn1cccc1-c1ncnc2c1cnn2CCN1CCCCC1
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| InChI |
InChI=1S/C17H22N6/c1-21-7-5-6-15(21)16-14-12-20-23(17(14)19-13-18-16)11-10-22-8-3-2-4-9-22/h5-7,12-13H,2-4,8-11H2,1H3
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| InChIKey |
PYTMSMXFBBOXGH-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