Pat-1251
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
Molecular Identity
Pat-1251
[3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID: 122536283
2D Structure
Properties
C18H17F4N3O3
Molecular Formula
399.30
Molecular Weight
g/mol
399.1206
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
88.7
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
551
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)OIsomeric SMILES
SMILES: C1[C@H]([C@@H](CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)OSynonyms(20)
PAT-1251UNII-Y3HMF6G24B(3-((4-(Aminomethyl)-6-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl)methanoneMethanone, (3-((4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)((3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl)-Methanone, [3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl][(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]-RefChem:170158LOXL2 Inhibitor GB2064PAT1251PAT 1251GB2064GB 2064GB-2064Lysyl Oxidase-like Protein 2 Inhibitor PAT-1251Lenumlostat2007885-39-2
Data from PubChem (NCBI)
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