General Information of the Compound
| Compound ID |
CP0369785
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| Compound Name |
(1R)-N-(2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C23H18F4N2O
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| Molecular Weight |
414.402
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| Canonical SMILES |
Fc1ccccc1NC(=O)N1CCc2ccccc2[C@H]1c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H18F4N2O/c24-19-7-3-4-8-20(19)28-22(30)29-14-13-15-5-1-2-6-18(15)21(29)16-9-11-17(12-10-16)23(25,26)27/h1-12,21H,13-14H2,(H,28,30)/t21-/m1/s1
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| InChIKey |
IVTRAXDWFJKHBQ-OAQYLSRUSA-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