General Information of the Compound
| Compound ID |
CP0504549
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| Compound Name |
2-benzyl 1-methyl 2-benzylpyrrolidine-1,2-dicarboxylate
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
COC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C21H23NO4/c1-25-20(24)22-14-8-13-21(22,15-17-9-4-2-5-10-17)19(23)26-16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3
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| InChIKey |
BXUJIJYEAROQNO-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