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Chemical structure of BMS-779788 (EXEL04286652)

GC31372

BMS-779788 (EXEL04286652)

Also known as 2-[2-[2-(2-chlorophenyl)propan-2-yl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol

BMS-779788 (EXEL04286652) is a LXR partial agonist with IC50 values of 68 nM for LXRα and 14 nM for LXRβ

ChemicalCAS918348-67-1MW509.06FormulaC28H29ClN2O3S
CAS number
918348-67-1
Molecular weight
509.06
Formula
C28H29ClN2O3S
Solubility
DMSO ： ≥ 31 mg/mL (60·90 mM)
InChIKey
JLPURTXCSILYLW-UHFFFAOYSA-N
Catalogue number
GC31372
Brand
GLPBIO
Computed properties PubChem CID 59251511 · XLogP 5.7 · TPSA 80.6 Ų · H-bond donors 1
XLogP
5.7
TPSA
80.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
35

SMILES CC(C)(C1=CC=CC=C1Cl)C2=NC(=CN2C3=CC=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C)C(C)(C)O

Computed descriptors from PubChem (CID 59251511), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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