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Chemical structure of E3 ligase Ligand 5

GC33349

E3 ligase Ligand 5

Also known as 4-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]-3-(trifluoromethyl)benzonitrile

E3 ligase Ligand 5 is an estrogen-related receptor α (ERRα) antagonist with IC50s of 0·04 and 2·8 μM for ERRα and ERRγ, respectively

ChemicalCAS1264754-13-3MW420.36FormulaC19H11F3N2O4S
CAS number
1264754-13-3
Molecular weight
420.36
Formula
C19H11F3N2O4S
Solubility
Soluble in DMSO
InChIKey
OBBIOCQFTMNSJI-PXNMLYILSA-N
Catalogue number
GC33349
Brand
GLPBIO
Computed properties PubChem CID 46916268 · XLogP 4.3 · TPSA 114 Ų · H-bond donors 1
XLogP
4.3
TPSA
114 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
29

SMILES COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)S2)OC3=C(C=C(C=C3)C#N)C(F)(F)F

Computed descriptors from PubChem (CID 46916268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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