General Information of the Compound
| Compound ID |
CP0525001
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| Compound Name |
6-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)N2CCc3cc(F)ccc3C2c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H17F5N2O/c24-17-5-8-19(9-6-17)29-22(31)30-12-11-15-13-18(25)7-10-20(15)21(30)14-1-3-16(4-2-14)23(26,27)28/h1-10,13,21H,11-12H2,(H,29,31)
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| InChIKey |
DTGRSUMIIUYHEO-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