General Information of the Compound
| Compound ID |
CP0082813
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| Compound Name |
1-Isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea
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| Synonyms |
1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea
1-isoquinolin-5-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea
A-425619
AC1OYT5J
LS-192912
T5512318
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| Structure |
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| Formula |
C18H14F3N3O
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| Molecular Weight |
345.324
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| Canonical SMILES |
FC(F)(F)c1ccc(CNC(=O)Nc2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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| InChIKey |
SJGVXVZUSQLLJB-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
Clinical Information about the Compound