Selgantolimod
(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
Molecular Identity
Selgantolimod
(2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
PubChem CID: 122585383
2D Structure
Properties
C14H20FN5O
Molecular Formula
293.34
Molecular Weight
g/mol
293.1652
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
97
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
334
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC(C)(CO)NC1=NC(=NC2=C1N=CC(=C2)F)NIsomeric SMILES
SMILES: CCCC[C@@](C)(CO)NC1=NC(=NC2=C1N=CC(=C2)F)NSynonyms(20)
RM4GJT3SMQGS-9688(2R)-2-((2-Amino-7-fluoropyrido(3,2-d)pyrimidin-4-yl)amino)-2-methyl-1-hexanol1-Hexanol, 2-((2-amino-7-fluoropyrido(3,2-d)pyrimidin-4-yl)amino)-2-methyl-, (2R)-selgantolimodumRefChem:182321887-642-2(2R)-2-((2-amino-7-fluoropyrido(3,2-d)pyrimidin-4-yl)amino)-2-methylhexan-1-ol2004677-13-6SelgantolimodSelgantolimod [INN]Selgantolimod [USAN](2S)-2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol(2S)-2-({2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl}amino)-2-methylhexan-1-olUNII-RM4GJT3SMQ
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Selgantolimod
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