Atuzaginstat
N-[(3S)-7-amino-2-oxo-1-(2,3,6-trifluorophenoxy)heptan-3-yl]cyclopentanecarboxamide
Molecular Identity
Atuzaginstat
N-[(3S)-7-amino-2-oxo-1-(2,3,6-trifluorophenoxy)heptan-3-yl]cyclopentanecarboxamide
PubChem CID: 134347893
2D Structure
Properties
C19H25F3N2O3
Molecular Formula
386.40
Molecular Weight
g/mol
386.1817
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
81.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
489
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(C1)C(=O)NC(CCCCN)C(=O)COC2=C(C=CC(=C2F)F)FIsomeric SMILES
SMILES: C1CCC(C1)C(=O)N[C@@H](CCCCN)C(=O)COC2=C(C=CC(=C2F)F)FSynonyms(20)
AtuzaginstatDGN7ROZ8EN2211981-76-7COR388COR-388RefChem:115545Atuzaginstat [INN]UNII-DGN7ROZ8ENCyclopentanecarboxamide, N-((1S)-5-amino-1-(2-(2,3,6-trifluorophenoxy)acetyl)pentyl)-N-((3S)-7-Amino-2-oxo-1-(2,3,6- trifluorophenoxy)heptan-3-yl)cyclopentanecarboxamideN-[(3S)-7-amino-2-oxo-1-(2,3,6-trifluorophenoxy)heptan-3-yl]cyclopentanecarboxamideAtuzaginstatCOR388orb1739688CHEMBL5095230SCHEMBL19972758
Data from PubChem (NCBI)
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