Molecular Identity
G100
8-(3-methoxypropylamino)-1,3,7-trimethylpurine-2,6-dione
PubChem CID: 56998
2D Structure
Properties
C12H19N5O3
Molecular Formula
281.31
Molecular Weight
g/mol
281.1488
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
79.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
391
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)C)CIsomeric SMILES
SMILES: CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)C)CSynonyms(20)
G100TLR4 Agonist G100RefChem:331567TLR 4 Agonist G100TLR-4 Agonist G100TLR-4 Agonist GLA-SEToll-like Receptor 4 Agonist G100Glucopyranosyl Lipid A Stable EmulsionToll-like Receptor 4 Agonist GLA-SEGlucopyranosyl Lipid Adjuvant-Stable EmulsionGLA-SECAFFEINE, 8-((3-METHOXYPROPYL)AMINO)-95982-26-68-((3-Methoxypropyl)amino)caffeine8-(3-methoxypropylamino)-1,3,7-trimethylpurine-2,6-dione
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to G100
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