General Information of the Compound
| Compound ID |
CP0089515
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| Compound Name |
1-(4-tert-Butyl-benzyl)-3-isoquinolin-5-yl-urea
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C21H23N3O/c1-21(2,3)17-9-7-15(8-10-17)13-23-20(25)24-19-6-4-5-16-14-22-12-11-18(16)19/h4-12,14H,13H2,1-3H3,(H2,23,24,25)
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| InChIKey |
RSZMNPKYJGGAMY-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