General Information of the Compound
| Compound ID |
CP0528952
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| Compound Name |
1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)-3-tert- butylurea hydrochloride
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| Structure |
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| Formula |
C18H29N7O
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| Molecular Weight |
359.478
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| Canonical SMILES |
CC(C)(C)NC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C18H29N7O/c1-18(2,3)23-17(26)22-15-14-12-21-25(16(14)20-13-19-15)11-10-24-8-6-4-5-7-9-24/h12-13H,4-11H2,1-3H3,(H2,19,20,22,23,26)
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| InChIKey |
FZYPSCWQRUZING-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