CYM5520   Click here for help

GtoPdb Ligand ID: 11312

Synonyms: CYM-5520
Compound class: Synthetic organic
Comment: CYM5520 is a S1P2 receptor selective allosteric agonist [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 5
Topological polar surface area 67.79
Molecular weight 345.15
XLogP 3.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C
Isomeric SMILES N#Cc1ccc(=O)n(c1)CC(=O)c1cc(n(c1C)Cc1ccccc1)C
InChI InChI=1S/C21H19N3O2/c1-15-10-19(16(2)24(15)13-17-6-4-3-5-7-17)20(25)14-23-12-18(11-22)8-9-21(23)26/h3-10,12H,13-14H2,1-2H3
InChI Key FMYGNANMYYHBSU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
CYM-5520
Database Links Click here for help
CAS Registry No. 1449747-00-5 (source: PubChem)
GtoPdb PubChem SID 434321747
PubChem CID 25110470
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