General Information of the Compound
| Compound ID |
CP0399793
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| Compound Name |
N-(4-amino-2-methylquinolin-6-yl)-2-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C25H20F3N3O2
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| Molecular Weight |
451.448
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| Canonical SMILES |
Cc1cc(N)c2cc(NC(=O)c3ccccc3COc3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C25H20F3N3O2/c1-15-12-22(29)21-13-18(8-11-23(21)30-15)31-24(32)20-5-3-2-4-16(20)14-33-19-9-6-17(7-10-19)25(26,27)28/h2-13H,14H2,1H3,(H2,29,30)(H,31,32)
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| InChIKey |
PMMUSRSOKNLZDS-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