Rineterkib
4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
Molecular Identity
Rineterkib
4-[3-amino-6-[(1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl]pyrazin-2-yl]-N-[(1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl]-2-fluorobenzamide
PubChem CID: 118045847
2D Structure
Properties
C26H27BrF3N5O2
Molecular Formula
578.40
Molecular Weight
g/mol
577.1300
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
9
H-Bond Acceptors
757
Complexity
SMILES
Canonical SMILES
SMILES: CNCC(C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)C4CCC(C(C4)F)O)FIsomeric SMILES
SMILES: CNC[C@H](C1=CC(=CC(=C1)Br)F)NC(=O)C2=C(C=C(C=C2)C3=NC(=CN=C3N)[C@H]4CC[C@@H]([C@H](C4)F)O)FSynonyms(20)
Rineterkib1715025-32-3Rineterkib [INN]15KFN616FKLTT-462UNII-15KFN616FKLTT462LTT 462 [WHO-DD]RINETERKIB [WHO-DD]Benzamide, 4-(3-amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)-2-pyrazinyl)-N-((1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl)-2-fluoro-ERK-IN-14-(3-Amino-6-((1S,3S,4S)-3-fluoro-4-hydroxycyclohexyl)-2-pyrazinyl)-N-((1S)-1-(3-bromo-5-fluorophenyl)-2-(methylamino)ethyl)-2-fluorobenzamideexample 184 [WO2015066188A1]example 184 (WO2015066188A1)RefChem:179478
Data from PubChem (NCBI)
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