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Chemical structure of VU0467154

GC30809

VU0467154

Also known as 5-amino-3,4-dimethyl-N-[[4-(trifluoromethylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide

A positive allosteric modulator of the M4 muscarinic acetylcholine receptor

ChemicalCAS1451993-15-9MW444.45FormulaC17H15F3N4O3S2
CAS number
1451993-15-9
Molecular weight
444.45
Formula
C17H15F3N4O3S2
Solubility
DMSO ： ≥ 125 mg/mL (281·25 mM)
InChIKey
UDSFKIFLJPECRN-UHFFFAOYSA-N
Catalogue number
GC30809
Brand
GLPBIO
Computed properties PubChem CID 73774630 · XLogP 3.4 · TPSA 152 Ų · H-bond donors 2
XLogP
3.4
TPSA
152 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
29

SMILES CC1=C(N=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C(F)(F)F)N)C

Computed descriptors from PubChem (CID 73774630), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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