AS-19   Click here for help

GtoPdb Ligand ID: 8433

Synonyms: AS 19 | AS19
Compound class: Synthetic organic
Comment: AS-19 is a selective serotonin 5-HT7 receptor agonist [2]. 5-HT7 receptor agonists may be usful tools in the investigation of the receptor's function in memory [3] and pain [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 21.06
Molecular weight 283.2
XLogP 3.02
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(C1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C
Isomeric SMILES CN([C@H]1CCc2c(C1)cccc2c1c(C)nn(c1C)C)C
InChI InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
InChI Key BTTOYOKCLDAHHO-HNNXBMFYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
Synonyms Click here for help
AS 19 | AS19
Database Links Click here for help
ChEMBL Ligand CHEMBL2164327
GtoPdb PubChem SID 252166643
PubChem CID 23642275
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Tocris
AS 19
Cat. No. 1968