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Chemical structure of VU0238441

GC61378

VU0238441

Also known as 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione

VU0238441 is a pan muscarinic acetylcholine receptor (mAChR) positive allosteric modulator (PAM) with EC50s of 3·2 μM, 2·8 μM, 2·2 μM, 2·1 μM, >10 μM for M1, M2, M3, M5 and M4, respectively

ChemicalCAS85511-68-8MW339.7FormulaC16H9ClF3NO2
CAS number
85511-68-8
Molecular weight
339.7
Formula
C16H9ClF3NO2
Solubility
DMSO： 125 mg/mL (367·97 mM)
InChIKey
MIAQTWNDRFRVOQ-UHFFFAOYSA-N
Catalogue number
GC61378
Brand
GLPBIO
Computed properties PubChem CID 44158142 · XLogP 3.9 · TPSA 37.4 Ų · H-bond donors 0
XLogP
3.9
TPSA
37.4 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23

SMILES C1=CC2=C(C(=C1)Cl)N(C(=O)C2=O)CC3=CC=C(C=C3)C(F)(F)F

Computed descriptors from PubChem (CID 44158142), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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