General Information of the Compound
| Compound ID |
CP0943572
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| Compound Name |
N-(3,5-bis(trifluoromethyl)phenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C21H18F6N2O2
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| Molecular Weight |
444.375
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| Canonical SMILES |
CCc1ccccc1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O
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| InChI |
InChI=1S/C21H18F6N2O2/c1-2-12-5-3-4-6-17(12)29-11-13(7-18(29)30)19(31)28-16-9-14(20(22,23)24)8-15(10-16)21(25,26)27/h3-6,8-10,13H,2,7,11H2,1H3,(H,28,31)
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| InChIKey |
WTXJQMDCQFOQNS-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