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Chemical structure of CGS 20625

GC14274

CGS 20625

Also known as 4-(4-methoxyphenyl)-3,4,8-triazatricyclo[7.5.0.02,6]tetradeca-1,6,8-trien-5-one

partial agonist for the benzodiazepine binding site of the GABAA receptor

ChemicalCAS111205-55-1MW309.36FormulaC18H19N3O2
CAS number
111205-55-1
Molecular weight
309.36
Formula
C18H19N3O2
Solubility
＜30·94mg/ml in DMSO; ＜7·73mg/ml in ethanol
InChIKey
UBLXQFIFWUEVGJ-UHFFFAOYSA-N
Catalogue number
GC14274
Brand
GLPBIO
Computed properties PubChem CID 163844 · XLogP 3.6 · TPSA 54.5 Ų · H-bond donors 1
XLogP
3.6
TPSA
54.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

SMILES COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2

Computed descriptors from PubChem (CID 163844), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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