General Information of the Compound
| Compound ID |
CP0513963
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| Compound Name |
benzyl 1-acetyl-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C23H24F3NO4
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| Molecular Weight |
435.442
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| Canonical SMILES |
COc1ccc(CC2(CCCN2C(C)=O)C(=O)OCc2ccccc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H24F3NO4/c1-16(28)27-12-6-11-22(27,21(29)31-15-17-7-4-3-5-8-17)14-18-9-10-20(30-2)19(13-18)23(24,25)26/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3
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| InChIKey |
RTVTVBAMFSTSSP-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