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Chemical structure of (1α,1'S,4β)-Lanabecestat

GC38489

(1α,1'S,4β)-Lanabecestat

(1α,1'S,4β)-Lanabecestat ((1α,1'S,4β)-AZD3293) a less active enantiomer of Lanabecestat

ChemicalCAS1384082-96-5MW412.53FormulaC26H28N4O
CAS number
1384082-96-5
Molecular weight
412.53
Formula
C26H28N4O
Solubility
DMSO： 250 mg/mL (606·02 mM)
InChIKey
WKDNQONLGXOZRG-TXDAUAKNSA-N
Catalogue number
GC38489
Brand
GLPBIO
Computed properties PubChem CID 67979371 · XLogP 3 · TPSA 72.9 Ų · H-bond donors 1
XLogP
3
TPSA
72.9 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
31

SMILES CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2

Computed descriptors from PubChem (CID 67979371), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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