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Chemical structure of PF-06747711

GC34710

PF-06747711

Also known as 3-cyano-N-[1-methyl-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide

PF-06747711 is a potent, selective, and orally active retinoic acid receptor-related orphan C2 (RORC2, also known as RORγt) inverse agonist, with an IC50 of 4·1 nM

ChemicalCAS1892576-58-7MW497.51FormulaC26H26F3N5O2
CAS number
1892576-58-7
Molecular weight
497.51
Formula
C26H26F3N5O2
Solubility
DMSO： 41·67 mg/mL (83·76 mM)
InChIKey
BIHPJIJLDNUDGH-UHFFFAOYSA-N
Catalogue number
GC34710
Brand
GLPBIO
Computed properties PubChem CID 118977746 · XLogP 3.8 · TPSA 91 Ų · H-bond donors 1
XLogP
3.8
TPSA
91 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
36

SMILES CC(C)C(=O)N1CCC(CC1)C2=CN(C3=NC=C(C(=C23)C(F)(F)F)NC(=O)C4=CC=CC(=C4)C#N)C

Computed descriptors from PubChem (CID 118977746), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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