Molecular Identity
Lanabecestat
PubChem CID: 67979346
2D Structure
Properties
C26H28N4O
Molecular Formula
412.50
Molecular Weight
g/mol
412.2263
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
72.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
827
Complexity
SMILES
Canonical SMILES
SMILES: CC#CC1=CC(=CN=C1)C2=CC3=C(CC4(C35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2Isomeric SMILES
SMILES: CC#CC1=CC(=CN=C1)C2=CC3=C(CC4([C@]35N=C(C(=N5)N)C)CCC(CC4)OC)C=C2Synonyms(20)
Lanabecestat1383982-64-6AZD-3293LY3314814Lanabecestat [USAN]X8SPJ492VFLanabecestat (AZD3293; LY3314814)CHEMBL4217620LY-3314814Lanabecestat(AZD3293,LY-3314814)AZD3293 (Lanabecestat)(1,4-trans,1'R)-4-methoxy-5''-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-dispiro(cyclohexane-1,2'-indene-1',2''-imidazol)-4''-amine(1alpha,1'R,4beta)-4-Methoxy-5''-methyl-6'-[5-(1-propyn-1-yl)-3-pyridinyl]dispiro[cyclohexane-1,2'-[2H]indene-1'(3'H),2''-[2H]imidazol]-4''-amine(1R,1'R,4R)-4-methoxy-5''-methyl-6'-(5-(prop-1-yn-1-yl)pyridin-3-yl)-3'H-- dispiro(cyclohexane-1,2'-indene-1',2''-imidazol)-4''-amine1383984-21-1
Data from PubChem (NCBI)
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Trials and conditions connected to Lanabecestat
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