General Information of the Compound
| Compound ID |
CP0471880
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| Compound Name |
N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]pyrimidin-4-yl)tetrahydro- 2H-pyran-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C19H28N6O2
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| Molecular Weight |
372.473
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| Canonical SMILES |
O=C(Nc1ncnc2n(CCN3CCCCCC3)ncc12)C1CCOCC1
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| InChI |
InChI=1S/C19H28N6O2/c26-19(15-5-11-27-12-6-15)23-17-16-13-22-25(18(16)21-14-20-17)10-9-24-7-3-1-2-4-8-24/h13-15H,1-12H2,(H,20,21,23,26)
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| InChIKey |
JLLMGLKMXOUBKS-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