General Information of the Compound
| Compound ID |
CP0961106
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| Compound Name |
1-(2-ethyl-6-methylphenyl)-5-oxo-N-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C21H21F3N2O2
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| Molecular Weight |
390.405
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| Canonical SMILES |
CCc1cccc(C)c1N1CC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1=O
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| InChI |
InChI=1S/C21H21F3N2O2/c1-3-14-7-4-6-13(2)19(14)26-12-15(10-18(26)27)20(28)25-17-9-5-8-16(11-17)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,28)
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| InChIKey |
UNEFUDORZXWAQL-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