General Information of the Compound
| Compound ID |
CP0542621
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| Compound Name |
4-(methylsulfonyl)benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C22H25NO5S
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| Molecular Weight |
415.511
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| Canonical SMILES |
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H25NO5S/c1-17(24)23-14-6-13-22(23,15-18-7-4-3-5-8-18)21(25)28-16-19-9-11-20(12-10-19)29(2,26)27/h3-5,7-12H,6,13-16H2,1-2H3
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| InChIKey |
RLLKYDIQAAEVAE-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