General Information of the Compound
| Compound ID |
CP0329627
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| Compound Name |
N-[3-[(dimethylamino)methyl]-2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]acetamide
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| Structure |
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| Formula |
C25H24F5N3O3
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| Molecular Weight |
509.475
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| Canonical SMILES |
CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cc(cc(CN(C)C)c2F)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C25H24F5N3O3/c1-4-36-21-11-22(34)31-12-18(21)14-5-6-15(19(26)8-14)9-23(35)32-20-10-17(25(28,29)30)7-16(24(20)27)13-33(2)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,31,34)(H,32,35)
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| InChIKey |
ATVKDEADBYCHSW-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