General Information of the Compound
| Compound ID |
CP0051283
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| Compound Name |
ATOMOXETINE
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| Synonyms |
(-)-Tomoxetine
(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Atomoxetine
Atomoxetine (INN)
Attentin (TN)
Strattera (TN)
Tomoxetin (TN)
Tomoxetina
Tomoxetina [Spanish]
Tomoxetine
Tomoxetine [INN]
Tomoxetinum
Tomoxetinum [Latin]
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| Structure |
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| Formula |
C17H21NO
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| Molecular Weight |
255.361
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| Canonical SMILES |
CNCC[C@@H](Oc1ccccc1C)c1ccccc1
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| InChI |
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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| InChIKey |
VHGCDTVCOLNTBX-QGZVFWFLSA-N
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| CAS |
83015-26-3
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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: PT03637, Krueppel-like factor 10
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound