inlexisertib
4-[3-[[2-[2-ethyl-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
Molecular Identity
inlexisertib
4-[3-[[2-[2-ethyl-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one
PubChem CID: 155269708
2D Structure
Properties
C26H36F3N7O2
Molecular Formula
535.60
Molecular Weight
g/mol
535.2883
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
85.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
738
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
inlexisertib2543673-19-2DCC3116 FREE BASEDCC-3116 FREE BASEJM2ZTM8S7S4-[3-[[2-[2-Ethyl-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one4-(3-((2-(2-ethyl-4-(4-methylpiperazin-1-yl)anilino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)propyl)-1,4-oxazepan-5-oneRefChem:1087385DCC-31164-(3-((2-((2-Ethyl-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-(trifluoromethyl)pyrimidin-4-yl)amino)propyl)-1,4-oxazepan-5-oneinlexisertib [INN]Inlexisertib (USAN/INN)INLEXISERTIB [USAN]DP-8218 FREE BASEorb2566516
Data from PubChem (NCBI)
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