S1PR1-MO-1
3-[1-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethylamino]cyclobutane-1-carboxylic acid
Molecular Identity
S1PR1-MO-1
3-[1-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethylamino]cyclobutane-1-carboxylic acid
PubChem CID: 42610386
2D Structure
Properties
C25H29N3O3
Molecular Formula
419.50
Molecular Weight
g/mol
419.2209
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
88.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
579
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C(C)NC4CC(C4)C(=O)OIsomeric SMILES
SMILES: CC(C)CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)C(C)NC4CC(C4)C(=O)OSynonyms(15)
S1PR1-MO-11149727-61-6PF-04629991PF 991PF-991orb1709962SCHEMBL13149802SCHEMBL18358099HY-U00366AKOS040732893CS-7426DA-57606T109123-((1-(4-(5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)amino)cyclobutane-1-carboxylic acid3-[1-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethylamino]cyclobutane-1-carboxylic acid
Data from PubChem (NCBI)
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