Ro67-7476   Click here for help

GtoPdb Ligand ID: 1388

Synonyms: Ro 677476 | Ro-677476
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 45.76
Molecular weight 319.1
XLogP 4.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1c1ccc(cc1)F
Isomeric SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1c1ccc(cc1)F
InChI InChI=1S/C17H18FNO2S/c1-13-4-10-16(11-5-13)22(20,21)19-12-2-3-17(19)14-6-8-15(18)9-7-14/h4-11,17H,2-3,12H2,1H3
InChI Key DAEHFYNGSSBGSS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine
Synonyms Click here for help
Ro 677476 | Ro-677476
Database Links Click here for help
Specialist databases
GPCRdb Ligand Ro67-7476
Other databases
GtoPdb PubChem SID 135650924
PubChem CID 17950211
Search Google for chemical match using the InChIKey DAEHFYNGSSBGSS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DAEHFYNGSSBGSS
UniChem Compound Search for chemical match using the InChIKey DAEHFYNGSSBGSS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DAEHFYNGSSBGSS-UHFFFAOYSA-N