General Information of the Compound
| Compound ID |
CP0189107
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| Compound Name |
N-[4-(1-cyanoethyl)-3-(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 |
C25H21F4N3O3
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| Molecular Weight |
487.453
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| Canonical SMILES |
CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(C(C)C#N)c(c2)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C25H21F4N3O3/c1-3-35-22-11-23(33)31-13-19(22)15-4-5-16(21(26)8-15)9-24(34)32-17-6-7-18(14(2)12-30)20(10-17)25(27,28)29/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,31,33)(H,32,34)
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| InChIKey |
UNQRFBPIZOYNKG-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