General Information of the Compound
| Compound ID |
CP0166151
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| Compound Name |
1-(3-phenoxy-benzyl)-piperidine-4-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
CCOC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
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| InChI |
InChI=1S/C21H25NO3/c1-2-24-21(23)18-11-13-22(14-12-18)16-17-7-6-10-20(15-17)25-19-8-4-3-5-9-19/h3-10,15,18H,2,11-14,16H2,1H3
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| InChIKey |
TVFMBJYYWFCDRX-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