General Information of the Compound
| Compound ID |
CP0496098
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| Compound Name |
(1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
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| Structure |
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| Formula |
C19H28N2O2
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| Molecular Weight |
316.445
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| Canonical SMILES |
CN1CCC(CC1)OC(=O)C(C)(N1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C19H28N2O2/c1-19(21-12-6-7-13-21,16-8-4-3-5-9-16)18(22)23-17-10-14-20(2)15-11-17/h3-5,8-9,17H,6-7,10-15H2,1-2H3
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| InChIKey |
FWPJONCBQIJIRI-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