General Information of the Compound
| Compound ID |
CP0340884
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| Compound Name |
(1R)-1-[4-(trifluoromethyl)phenyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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| Structure |
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| Formula |
C20H18F6N2O
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| Molecular Weight |
416.365
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| Canonical SMILES |
C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(cc1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H18F6N2O/c1-12(19(21,22)23)27-18(29)28-11-10-13-4-2-3-5-16(13)17(28)14-6-8-15(9-7-14)20(24,25)26/h2-9,12,17H,10-11H2,1H3,(H,27,29)/t12-,17-/m1/s1
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| InChIKey |
OGMWZDQYXGKSBP-SJKOYZFVSA-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