[35S]non-peptide OT antagonist   Click here for help

GtoPdb Ligand ID: 3484

Synonyms: [35S]-non-peptide OT antagonist
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 104.84
Molecular weight 623.23
XLogP 4.05
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N1CCC(CC1)N1C(=O)CCc2c1cccc2)Cc1ccc(cc1OCC(F)(F)F)OC1CCN(CC1)S(=O)(=O)C
Isomeric SMILES O=C(N1CCC(CC1)N1C(=O)CCc2c1cccc2)Cc1ccc(cc1OCC(F)(F)F)OC1CCN(CC1)[35S](=O)(=O)C
InChI InChI=1S/C30H36F3N3O6S/c1-43(39,40)35-16-12-24(13-17-35)42-25-8-6-22(27(19-25)41-20-30(31,32)33)18-29(38)34-14-10-23(11-15-34)36-26-5-3-2-4-21(26)7-9-28(36)37/h2-6,8,19,23-24H,7,9-18,20H2,1H3/i43+3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
[35S]-non-peptide OT antagonist
Database Links Click here for help
GtoPdb PubChem SID 178100475
PubChem CID 73755057
Search Google for chemical match using the InChIKey WGABGZOBUZZBRA-FFSUGBGASA-N
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UniChem Connectivity Search for chemical match using the InChIKey WGABGZOBUZZBRA-FFSUGBGASA-N