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Chemical structure of CC4

GC50126

CC4

Also known as (1R,9S)-11-[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

High affinity and subtype-selective α6β2 and α4β2 nAChR partial agonist

ChemicalCAS492-02-4MW406.52FormulaC24H30N4O2
CAS number
492-02-4
Molecular weight
406.52
Formula
C24H30N4O2
Solubility
Soluble in DMSO
InChIKey
LEXDAVFCJPDCNA-VNTMZGSJSA-N
Catalogue number
GC50126
Brand
GLPBIO
Computed properties PubChem CID 91654624 · XLogP 1.1 · TPSA 47.1 Ų · H-bond donors 0
XLogP
1.1
TPSA
47.1 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30

SMILES C1[C@H]2CN(C[C@@H]1C3=CC=CC(=O)N3C2)CCN4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5

Computed descriptors from PubChem (CID 91654624), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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