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Chemical structure of CYM 5520

GC15765

CYM 5520

Also known as 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile

noncompetitive allosteric agonist of S1P2

ChemicalCAS1449747-00-5MW345.4FormulaC21H19N3O2
CAS number
1449747-00-5
Molecular weight
345.4
Formula
C21H19N3O2
Solubility
≤30mg/ml in DMSO;30mg/ml in dimethyl formamide
InChIKey
FMYGNANMYYHBSU-UHFFFAOYSA-N
Catalogue number
GC15765
Brand
GLPBIO
Computed properties PubChem CID 25110470 · XLogP 2.4 · TPSA 66.1 Ų · H-bond donors 0
XLogP
2.4
TPSA
66.1 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
26

SMILES CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)C#N

Computed descriptors from PubChem (CID 25110470), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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