General Information of the Compound
| Compound ID |
CP0542350
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| Compound Name |
8-fluoro-N-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C23H17F5N2O
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| Molecular Weight |
432.392
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| Canonical SMILES |
Fc1ccc(NC(=O)N2CCc3cccc(F)c3C2c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H17F5N2O/c24-17-8-10-18(11-9-17)29-22(31)30-13-12-14-2-1-3-19(25)20(14)21(30)15-4-6-16(7-5-15)23(26,27)28/h1-11,21H,12-13H2,(H,29,31)
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| InChIKey |
HVRHPSNLMSDOSW-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