TELOTRISTAT ETHYL
ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate
Molecular Identity
TELOTRISTAT ETHYL
ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate
PubChem CID: 25181577
2D Structure
Properties
C27H26ClF3N6O3
Molecular Formula
575.00
Molecular Weight
g/mol
574.1707
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
131
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
821
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
TELOTRISTAT ETHYL1033805-22-9LX1606LX 1606LX-1606LX 1032LX1032LX-1032ethyl (2S)-2-amino-3-[4-[2-amino-6-[(1R)-1-[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoate8G388563M7DTXSID001102271ethyl (2S)-2-amino-3-(4-{2-amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl}phenyl)propanoateethyl (2S)-2-amino-3-(4-(2-amino-6-((1R)-1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoateethyl (2S)-2-amino-3-(4-(2-amino-6-((1R)-1-(4-chloro-2-(3-methylpyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)phenyl)propanoateRefChem:57926
Data from PubChem (NCBI)
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