Nedizantrep
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2,7-dimethylpurin-6-one
Molecular Identity
Nedizantrep
1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2,7-dimethylpurin-6-one
PubChem CID: 139486484
2D Structure
Properties
C20H19ClN6O3
Molecular Formula
426.90
Molecular Weight
g/mol
426.1207
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
98.6
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
687
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2=C(C(=O)N1CC3=NC(=NO3)C4CC(OC4)C5=CC=C(C=C5)Cl)N(C=N2)CIsomeric SMILES
SMILES: CC1=NC2=C(C(=O)N1CC3=NC(=NO3)[C@H]4C[C@@H](OC4)C5=CC=C(C=C5)Cl)N(C=N2)CSynonyms(20)
GDC-65992376824-99-4NedizantrepRG6341RG-63411-((3-((3R,5R)-5-(4-Chlorophenyl)tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl)methyl)-2,7-dimethyl-1,7-dihydro-6H-purin-6-one1-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-2,7-dimethylpurin-6-onenedizantrep [INN]ENQ95FVE4Xorb2277602CHEMBL5940975SCHEMBL21353886GTPL12895GDC6599US10710994, Example 8
Data from PubChem (NCBI)
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