BAY-593074   Click here for help

GtoPdb Ligand ID: 10348

Synonyms: BAY 59-3074 | BAY-59-3074 | BAY593074
Compound class: Synthetic organic
Comment: BAY-593074 is an orally active cannabinoid receptor partial agonist [1]. It is a pharmacological tool for experimental research.
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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 9
Topological polar surface area 84.77
Molecular weight 453.05
XLogP 4.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F
Isomeric SMILES N#Cc1c(cccc1C(F)(F)F)Oc1cccc(c1)OS(=O)(=O)CCCC(F)(F)F
InChI InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
InChI Key LWUSZIVDPJPVBW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
BAY 59-3074 | BAY-59-3074 | BAY593074
Database Links Click here for help
BindingDB Ligand 86514
CAS Registry No. 406205-74-1 (source: PubChem)
ChEMBL Ligand CHEMBL1354658
GtoPdb PubChem SID 381745029
PubChem CID 10479060
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Tocris
Bay 59-3074
Cat. No. 2500