General Information of the Compound
| Compound ID |
CP0480972
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| Compound Name |
(1R)-1-[4-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoro-1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C25H20F6N2O
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| Molecular Weight |
478.436
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| Canonical SMILES |
FC(F)(F)C(NC(=O)N1CCc2ccccc2[C@H]1c1ccc(cc1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C25H20F6N2O/c26-24(27,28)19-12-10-17(11-13-19)21-20-9-5-4-6-16(20)14-15-33(21)23(34)32-22(25(29,30)31)18-7-2-1-3-8-18/h1-13,21-22H,14-15H2,(H,32,34)/t21-,22?/m1/s1
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| InChIKey |
WVQDQASCINKZNW-ZMFCMNQTSA-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