General Information of the Compound
| Compound ID |
CP0504390
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| Compound Name |
benzyl 1-acetyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C22H21F4NO3
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| Molecular Weight |
423.406
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| Canonical SMILES |
CC(=O)N1CCCC1(Cc1ccc(F)cc1C(F)(F)F)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C22H21F4NO3/c1-15(28)27-11-5-10-21(27,20(29)30-14-16-6-3-2-4-7-16)13-17-8-9-18(23)12-19(17)22(24,25)26/h2-4,6-9,12H,5,10-11,13-14H2,1H3
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| InChIKey |
DGULSCCZGHBPSG-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