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Chemical structure of SUCNR1-IN-1

GC71307

SUCNR1-IN-1

Also known as 2-[2-[[3-[4-chloro-2-fluoro-5-[(3R)-piperidin-3-yl]oxyphenyl]-2-fluorobenzoyl]amino]-5-fluorophenyl]acetic acid

SUCNR1-IN-1 (Compound 20) is a SUCNR1 inhibitor (IC50: 88 nM for hSUCNR1)

ChemicalCAS2711753-52-3MW518.91FormulaC26H22ClF3N2O4
CAS number
2711753-52-3
Molecular weight
518.91
Formula
C26H22ClF3N2O4
Solubility
DMSO ： 100 mg/mL (192·71 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
MOOARNYDOKGVQG-MRXNPFEDSA-N
Catalogue number
GC71307
Brand
GLPBIO
Computed properties PubChem CID 154585554 · XLogP 2.6 · TPSA 87.7 Ų · H-bond donors 3
XLogP
2.6
TPSA
87.7 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36

SMILES C1C[C@H](CNC1)OC2=C(C=C(C(=C2)C3=C(C(=CC=C3)C(=O)NC4=C(C=C(C=C4)F)CC(=O)O)F)F)Cl

Computed descriptors from PubChem (CID 154585554), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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