General Information of the Compound
| Compound ID |
CP0008168
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| Compound Name |
CAS_136434-34-9
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| Synonyms |
(3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine
(3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
(S)-Duloxetine
(S)-N-Methyl-gamma-(1-naphthalenyloxy)-2-thiophenepropanamine
Cymbalta (TN)
Duloxetine
Duloxetine (INN)
Duloxetine [INN:BAN]
Duloxetine, (+)-isomer
LY 248686
Yentreve
Yentreve (TN)
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| Structure |
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| Formula |
C18H19NOS
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| Molecular Weight |
297.423
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| Canonical SMILES |
CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
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| InChI |
InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
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| InChIKey |
ZEUITGRIYCTCEM-KRWDZBQOSA-N
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| CAS |
116539-59-4
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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: PT06109, Geminin
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT03002, Potassium voltage-gated channel subfamily D member 3
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Clinical Information about the Compound