ST-1505   Click here for help

GtoPdb Ligand ID: 12570

Compound class: Synthetic organic
Comment: ST-1505 is a novel compound with dual S1P receptor agonist and histamine H3 receptor antagonist activities [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 34.17
Molecular weight 360.49
XLogP 2.07
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CCN(CC1)CCCOC2=CC=C(C=C2)CCC34COCN4COC3
Isomeric SMILES C(COC1=CC=C(CCC23COCN2COC3)C=C1)CN4CCCCC4
InChI InChI=1S/C21H32N2O3/c1-2-11-22(12-3-1)13-4-14-26-20-7-5-19(6-8-20)9-10-21-15-24-17-23(21)18-25-16-21/h5-8H,1-4,9-18H2
InChI Key SOOILONXEPTVJZ-UHFFFAOYSA-N