4P-PDOT   

GtoPdb Ligand ID: 1358

Synonyms: 4-phenyl-2-propionamidotetraline | N-(4-phenyltetralin-2-yl)propanamide
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 29.1
Molecular weight 279.16
XLogP 3.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
Isomeric SMILES CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
InChI InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
InChI Key RCYLUNPFECYGDW-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
Synonyms
4-phenyl-2-propionamidotetraline | N-(4-phenyltetralin-2-yl)propanamide
Database Links
BindingDB Ligand 50240440
ChEMBL Ligand CHEMBL285718
GtoPdb PubChem SID 135649804
PubChem CID 3976006
Search Google for chemical match using the InChIKey RCYLUNPFECYGDW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RCYLUNPFECYGDW
Search UniChem for chemical match using the InChIKey RCYLUNPFECYGDW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RCYLUNPFECYGDW

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Tocris
4-P-PDOT
Cat. No. 1034