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Chemical structure of A-971432

GC42664

A-971432

Also known as 1-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]azetidine-3-carboxylic acid

A-971432 is a sphingosine-1-phosphate receptor 5 (S1P5) agonist that is selective for S1P5 over S1P1 and S1P3 (IC50s = 0·006, 0·362, and >10 μM, respectively)

ChemicalCAS1240308-45-5MW366.2FormulaC18H17Cl2NO3
CAS number
1240308-45-5
Molecular weight
366.2
Formula
C18H17Cl2NO3
Solubility
Slightly soluble in chloroform
InChIKey
WAAWETUDFSIYSD-UHFFFAOYSA-N
Catalogue number
GC42664
Brand
GLPBIO
Computed properties PubChem CID 46872626 · XLogP 1.5 · TPSA 49.8 Ų · H-bond donors 1
XLogP
1.5
TPSA
49.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24

SMILES C1C(CN1CC2=CC=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl)C(=O)O

Computed descriptors from PubChem (CID 46872626), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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