General Information of the Compound
| Compound ID |
CP0526075
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| Compound Name |
1-[2-benzyl-2-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
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| Structure |
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| Formula |
C22H22N2O2
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| Molecular Weight |
346.43
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| Canonical SMILES |
CC(=O)N1CCCC1(Cc1ccccc1)c1nc(co1)-c1ccccc1
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| InChI |
InChI=1S/C22H22N2O2/c1-17(25)24-14-8-13-22(24,15-18-9-4-2-5-10-18)21-23-20(16-26-21)19-11-6-3-7-12-19/h2-7,9-12,16H,8,13-15H2,1H3
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| InChIKey |
JXDSWXXRALNWEU-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