General Information of the Compound
| Compound ID |
CP0383332
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| Compound Name |
1-[2-(4-tert-Butyl-phenyl)-ethyl]-3-isoquinolin-5-yl-urea
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
CC(C)(C)c1ccc(CCNC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C22H25N3O/c1-22(2,3)18-9-7-16(8-10-18)11-14-24-21(26)25-20-6-4-5-17-15-23-13-12-19(17)20/h4-10,12-13,15H,11,14H2,1-3H3,(H2,24,25,26)
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| InChIKey |
ZTEQQXUKAPWZKO-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