General Information of the Compound
| Compound ID |
CP0494474
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| Compound Name |
benzyl 1-acetyl-2-[(3-methylsulfonylphenyl)methyl]pyrrolidine-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(Cc1cccc(c1)S(C)(=O)=O)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C22H25NO5S/c1-17(24)23-13-7-12-22(23,21(25)28-16-18-8-4-3-5-9-18)15-19-10-6-11-20(14-19)29(2,26)27/h3-6,8-11,14H,7,12-13,15-16H2,1-2H3
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| InChIKey |
HJCRYMYFOUCOGQ-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