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Chemical structure of Nenocorilant

GC73137

Nenocorilant

Also known as [(4aR)-1-(4-fluorophenyl)-6-(2-methyltriazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)-2-pyridinyl]methanone

Nenocorilantis a potent, orally activity glucocorticoid receptor (GR) antagonist with Ki value of 0·15 nM

ChemicalCAS1496509-78-4MW587.55FormulaC26H21F4N7O3S
CAS number
1496509-78-4
Molecular weight
587.55
Formula
C26H21F4N7O3S
Solubility
DMSO ： 100 mg/mL (170·20 mM; Need ultrasonic)
InChIKey
PZIQQHVUAHTSJN-VWLOTQADSA-N
Catalogue number
GC73137
Brand
GLPBIO
Computed properties PubChem CID 89954189 · XLogP 3.2 · TPSA 124 Ų · H-bond donors 0
XLogP
3.2
TPSA
124 Ų
H-bond donors
0
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
41

SMILES CN1N=CC(=N1)S(=O)(=O)N2CCC3=CC4=C(C[C@@]3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F

Computed descriptors from PubChem (CID 89954189), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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