General Information of the Compound
| Compound ID |
CP0481577
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| Compound Name |
1-(4-Chloro-benzyl)-3-isoquinolin-5-yl-urea
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| Structure |
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| Formula |
C17H14ClN3O
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| Molecular Weight |
311.772
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| Canonical SMILES |
Clc1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C17H14ClN3O/c18-14-6-4-12(5-7-14)10-20-17(22)21-16-3-1-2-13-11-19-9-8-15(13)16/h1-9,11H,10H2,(H2,20,21,22)
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| InChIKey |
XEKDGMQDHSZCEB-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