General Information of the Compound
| Compound ID |
CP0437136
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| Compound Name |
1-(4-Butyl-phenyl)-3-isoquinolin-5-yl-urea
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| Structure |
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| Formula |
C20H21N3O
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| Molecular Weight |
319.408
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| Canonical SMILES |
CCCCc1ccc(NC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C20H21N3O/c1-2-3-5-15-8-10-17(11-9-15)22-20(24)23-19-7-4-6-16-14-21-13-12-18(16)19/h4,6-14H,2-3,5H2,1H3,(H2,22,23,24)
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| InChIKey |
NABKTWDKRIJFCK-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