General Information of the Compound
| Compound ID |
CP0487217
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| Compound Name |
1-(1-(2-(Azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)-3- ethylurea hydrochloride
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| Structure |
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| Formula |
C16H25N7O
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| Molecular Weight |
331.424
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| Canonical SMILES |
CCNC(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C16H25N7O/c1-2-17-16(24)21-14-13-11-20-23(15(13)19-12-18-14)10-9-22-7-5-3-4-6-8-22/h11-12H,2-10H2,1H3,(H2,17,18,19,21,24)
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| InChIKey |
QPWULMLVCLWSJD-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