General Information of the Compound
| Compound ID |
CP0471875
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| Compound Name |
1-(1-(2-(azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)-3- 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 |
CCCCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C18H29N7O/c1-2-3-8-19-18(26)23-16-15-13-22-25(17(15)21-14-20-16)12-11-24-9-6-4-5-7-10-24/h13-14H,2-12H2,1H3,(H2,19,20,21,23,26)
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| InChIKey |
HIOSWAKUGIPUHL-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