General Information of the Compound
| Compound ID |
CP0523063
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| Compound Name |
1-[2-benzyl-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethanone
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| Structure |
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| Formula |
C21H25NO2
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| Molecular Weight |
323.436
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| Canonical SMILES |
CC(=O)N1CCCC1(COCc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C21H25NO2/c1-18(23)22-14-8-13-21(22,15-19-9-4-2-5-10-19)17-24-16-20-11-6-3-7-12-20/h2-7,9-12H,8,13-17H2,1H3
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| InChIKey |
PSURHEZJEGFRBZ-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