General Information of the Compound
| Compound ID |
CP0485197
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| Compound Name |
methyl (3S,4R)-1-methyl-4-phenylpiperidine-3-carboxylate
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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]1CN(C)CC[C@H]1c1ccccc1
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| InChI |
InChI=1S/C14H19NO2/c1-15-9-8-12(11-6-4-3-5-7-11)13(10-15)14(16)17-2/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m0/s1
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| InChIKey |
WMVXAQQBRYETCJ-QWHCGFSZSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter