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Chemical structure of VU0119498

GC61377

VU0119498

Also known as 1-[(4-bromophenyl)methyl]indole-2,3-dione

VU0119498 is a pan Gq mAChR M1, M3, M5 positive allosteric modulator (PAM), with EC50s of 6·04, 6·38, and 4·08 ?M, respectively

ChemicalCAS79183-37-2MW316.15FormulaC15H10BrNO2
CAS number
79183-37-2
Molecular weight
316.15
Formula
C15H10BrNO2
Solubility
DMSO： 50 mg/mL (158·15 mM)
InChIKey
DELLOEULSHGYCG-UHFFFAOYSA-N
Catalogue number
GC61377
Brand
GLPBIO
Computed properties PubChem CID 3008304 · XLogP 2.8 · TPSA 37.4 Ų · H-bond donors 0
XLogP
2.8
TPSA
37.4 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

SMILES C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC=C(C=C3)Br

Computed descriptors from PubChem (CID 3008304), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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