General Information of the Compound
| Compound ID |
CP0041251
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| Compound Name |
methyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
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| Structure |
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| Formula |
C14H19NO2
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| Molecular Weight |
233.311
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| Canonical SMILES |
COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1
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| InChI |
InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13-/m1/s1
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| InChIKey |
DUGOZIWVEXMGBE-CHWSQXEVSA-N
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| CAS |
40431-64-9
20748-11-2
52760-39-1
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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
Protein ID: PT02186, Liver carboxylesterase 1
Protein ID: PT00884, Sodium-dependent dopamine transporter