General Information of the Compound
| Compound ID |
CP0189108
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| Compound Name |
2-(4-(4-Ethoxy-6-oxo-1,6-dihydropyridin-3-yl)-2-fluorophenyl)-N-(4-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)phenyl)acetamide
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| Structure |
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| Formula |
C27H28F4N2O4
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| Molecular Weight |
520.523
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| Canonical SMILES |
CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2ccc(CC(C)(C)CO)c(c2)C(F)(F)F)c(F)c1
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| InChI |
InChI=1S/C27H28F4N2O4/c1-4-37-23-12-24(35)32-14-20(23)16-5-6-17(22(28)9-16)10-25(36)33-19-8-7-18(13-26(2,3)15-34)21(11-19)27(29,30)31/h5-9,11-12,14,34H,4,10,13,15H2,1-3H3,(H,32,35)(H,33,36)
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| InChIKey |
PCNMRGUJZFWHPU-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