Vesatolimod
4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
Molecular Identity
Vesatolimod
4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
PubChem CID: 46241268
2D Structure
Properties
C22H30N6O2
Molecular Formula
410.50
Molecular Weight
g/mol
410.2430
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
96.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
558
Complexity
SMILES
Canonical SMILES
SMILES: CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)NIsomeric SMILES
SMILES: CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)NSynonyms(20)
Vesatolimod1228585-88-3GS-9620O8M467C50G6(5H)-Pteridinone, 4-amino-2-butoxy-7,8-dihydro-8-((3-(1-pyrrolidinylmethyl)phenyl)methyl)-DTXSID401537414-amino-2-butoxy-8-({3-[(pyrrolidin-1-yl)methyl]phenyl}methyl)-5,6,7,8-tetrahydropteridin-6-onevesatolimodum4-amino-2-butoxy-8-((3-((pyrrolidin-1-yl)methyl)phenyl)methyl)-5,6,7,8-tetrahydropteridin-6-oneRefChem:901826DTXCID7076232Vesatolimod [INN]GS96204-Amino-2-butoxy-8-(3-(pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5H)-oneMFCD25372045
Data from PubChem (NCBI)
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