General Information of the Compound
| Compound ID |
CP0431483
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| Compound Name |
1-Isoquinolin-5-yl-3-(4-methoxy-benzyl)-urea
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
COc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C18H17N3O2/c1-23-15-7-5-13(6-8-15)11-20-18(22)21-17-4-2-3-14-12-19-10-9-16(14)17/h2-10,12H,11H2,1H3,(H2,20,21,22)
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| InChIKey |
CKGCGYOETJILON-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