Lobucavir
2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one
Molecular Identity
Lobucavir
2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one
PubChem CID: 135413519
2D Structure
Properties
C11H15N5O3
Molecular Formula
265.27
Molecular Weight
g/mol
265.1175
Exact Mass
Da
-1.9
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
415
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C1N2C=NC3=C2N=C(NC3=O)N)CO)COIsomeric SMILES
SMILES: C1[C@@H]([C@H]([C@@H]1N2C=NC3=C2N=C(NC3=O)N)CO)COSynonyms(20)
LOBUCAVIR127759-89-1Cyclobut-GC-Oxetanocin-GBMS-180194C-Oxt-GCarbocyclic oxetanocin GSQ 34,514SQ-34514DRG-02358U5PYQ1R2E9-(2,3-Bis-(hydroxymethyl)-1-cyclobutyl)guanine9-((1R,2R,3S)-2,3-Bis(hydroxymethyl)cyclobutyl)guanine2-Amino-9-(2,3-bis(hydroxymethyl)cyclobutyl)-1,9-dihydro-6H-purin-6-one2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Lobucavir
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