General Information of the Compound
| Compound ID |
CP0316466
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| Compound Name |
(S)-3-(Naphthalen-1-yloxy)-3-thiophen-2-yl-propylamine
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| Synonyms |
(S)-NORDULOXETINE
(S)-gamma-(1-Naphthyloxy)-2-thiophenepropan-1-amine
BDBM50304388
CHEMBL595063
SCHEMBL4573573
ZINC34220632
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| Structure |
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| Formula |
C17H17NOS
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| Molecular Weight |
283.396
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| Canonical SMILES |
NCC[C@H](Oc1cccc2ccccc12)c1cccs1
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| InChI |
InChI=1S/C17H17NOS/c18-11-10-16(17-9-4-12-20-17)19-15-8-3-6-13-5-1-2-7-14(13)15/h1-9,12,16H,10-11,18H2/t16-/m0/s1
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| InChIKey |
ZMXLKLOJDLMZFC-INIZCTEOSA-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
Clinical Information about the Compound