General Information of the Compound
| Compound ID |
CP0536206
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| Compound Name |
1-Cyclopentyl-3-(1-(2- (piperidin-1-yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)urea hydrochloride
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| Structure |
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| Formula |
C18H27N7O
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| Molecular Weight |
357.462
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| Canonical SMILES |
O=C(NC1CCCC1)Nc1ncnc2n(CCN3CCCCC3)ncc12
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| InChI |
InChI=1S/C18H27N7O/c26-18(22-14-6-2-3-7-14)23-16-15-12-21-25(17(15)20-13-19-16)11-10-24-8-4-1-5-9-24/h12-14H,1-11H2,(H2,19,20,22,23,26)
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| InChIKey |
DEJCRFGJELJEKJ-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