6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(4-phenylphenyl)ethynyl]purin-9-yl]oxolane-3,4-diol
Molecular Identity
6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(4-phenylphenyl)ethynyl]purin-9-yl]oxolane-3,4-diol
PubChem CID: 138105921
2D Structure
Properties
C24H20N4O4
Molecular Formula
428.40
Molecular Weight
g/mol
428.1485
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
697
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)OSynonyms(5)
CHEMBL44749516-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purineBDBM50524386(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[2-(4-phenylphenyl)ethynyl]purin-9-yl]tetrahydrofuran-3,4-diolERP
Data from PubChem (NCBI)
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Molecular Structure
6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine
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Drug Network
Trials and conditions connected to 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine
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