General Information of the Compound
| Compound ID |
CP0851309
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| Compound Name |
N-(3-cyano-5-(trifluoromethyl)phenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C21H18F3N3O2
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| Molecular Weight |
401.388
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| Canonical SMILES |
Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C#N)cc(C(F)(F)F)c2)CC1=O
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| InChI |
InChI=1S/C21H18F3N3O2/c1-12-4-3-5-13(2)19(12)27-11-15(8-18(27)28)20(29)26-17-7-14(10-25)6-16(9-17)21(22,23)24/h3-7,9,15H,8,11H2,1-2H3,(H,26,29)
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| InChIKey |
DVXKTLYPEYDJAB-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