General Information of the Compound
| Compound ID |
CP0151495
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| Compound Name |
3-isoquinolin-5-yl-1-{[3-(trifluoromethyl)phenyl]methyl}urea
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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)c1cccc(CNC(=O)Nc2cccc3cnccc23)c1
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| InChI |
InChI=1S/C18H14F3N3O/c19-18(20,21)14-5-1-3-12(9-14)10-23-17(25)24-16-6-2-4-13-11-22-8-7-15(13)16/h1-9,11H,10H2,(H2,23,24,25)
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| InChIKey |
KPELIYBHXGTRBI-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