Tbaj-587
(1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
Molecular Identity
Tbaj-587
(1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxy-4-pyridinyl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-ol
PubChem CID: 138319677
2D Structure
Properties
C30H33BrFN3O5
Molecular Formula
614.50
Molecular Weight
g/mol
613.1588
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
86.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
774
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCC(C1=CC(=NC(=C1)OC)OC)(C(C2=C(C(=CC=C2)OC)F)C3=C(N=C4C=CC(=CC4=C3)Br)OC)OIsomeric SMILES
SMILES: CN(C)CC[C@@](C1=CC(=NC(=C1)OC)OC)([C@H](C2=C(C(=CC=C2)OC)F)C3=C(N=C4C=CC(=CC4=C3)Br)OC)OSynonyms(20)
TBAJ-5872252316-16-6(1S,2S)-1-(6-Bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoro-3-methoxyphenyl)butan-2-olUNII-D6UWM02W81D6UWM02W81compound 8 [PMID: 30803745]compound 8 (PMID: 30803745)RefChem:187628CHEMBL4529465(1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-olorb1301360SCHEMBL29454811GTPL13060TBAJ-587?GLXC-20699
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Tbaj-587
Loading drug network...