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Chemical structure of VU 0365114

GC17821

VU 0365114

Also known as 1-[(4-phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione

positive allosteric modulator of M5

ChemicalCAS1208222-39-2MW397.35FormulaC22H14F3NO3
CAS number
1208222-39-2
Molecular weight
397.35
Formula
C22H14F3NO3
Solubility
＜39·73mg/ml in DMSO
InChIKey
SPBGRXOPAXZSER-UHFFFAOYSA-N
Catalogue number
GC17821
Brand
GLPBIO
Computed properties PubChem CID 45281794 · XLogP 5.2 · TPSA 46.6 Ų · H-bond donors 0
XLogP
5.2
TPSA
46.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OC(F)(F)F)C(=O)C3=O

Computed descriptors from PubChem (CID 45281794), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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