General Information of the Compound
| Compound ID |
CP0429714
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| Compound Name |
benzyl 2-benzyl-1-(ethylcarbamoyl)pyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C22H26N2O3
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| Molecular Weight |
366.461
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| Canonical SMILES |
CCNC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C22H26N2O3/c1-2-23-21(26)24-15-9-14-22(24,16-18-10-5-3-6-11-18)20(25)27-17-19-12-7-4-8-13-19/h3-8,10-13H,2,9,14-17H2,1H3,(H,23,26)
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| InChIKey |
LZFIENNGPGPYQG-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