General Information of the Compound
Compound ID |
CP0116421
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Compound Name |
(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
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Structure |
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Formula |
C20H17F7N2O
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Molecular Weight |
434.355
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Canonical SMILES |
C[C@H](NC(=O)N1CCc2ccccc2[C@H]1c1ccc(c(F)c1)C(F)(F)F)C(F)(F)F
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InChI |
InChI=1S/C20H17F7N2O/c1-11(19(22,23)24)28-18(30)29-9-8-12-4-2-3-5-14(12)17(29)13-6-7-15(16(21)10-13)20(25,26)27/h2-7,10-11,17H,8-9H2,1H3,(H,28,30)/t11-,17+/m0/s1
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InChIKey |
DUXMKWWZEUJFIF-APPDUMDISA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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