RP-001   Click here for help

GtoPdb Ligand ID: 10309

Synonyms: RP001
Compound class: Synthetic organic
Comment: Orthosteric, short-duration S1P1 selective agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 121.27
Molecular weight 432.18
XLogP 4.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O
Isomeric SMILES N#Cc1cc(ccc1OC(C)C)c1onc(n1)c1cccc2c1CCC2NCCC(=O)O
InChI InChI=1S/C24H24N4O4/c1-14(2)31-21-9-6-15(12-16(21)13-25)24-27-23(28-32-24)19-5-3-4-18-17(19)7-8-20(18)26-11-10-22(29)30/h3-6,9,12,14,20,26H,7-8,10-11H2,1-2H3,(H,29,30)
InChI Key WNDDDFYFTSGSEC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[[4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]propanoic acid
Synonyms Click here for help
RP001
Database Links Click here for help
GtoPdb PubChem SID 381744990
PubChem CID 50911934
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