Nivocasan
(5R)-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-5-oxooxolan-3-yl]-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carboxamide
Molecular Identity
Nivocasan
(5R)-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-5-oxooxolan-3-yl]-3-isoquinolin-1-yl-5-propan-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID: 11633038
2D Structure
Properties
C21H22FN3O5
Molecular Formula
415.40
Molecular Weight
g/mol
415.1543
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
731
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)NC4CC(=O)OC4(CF)OIsomeric SMILES
SMILES: CC(C)[C@]1(CC(=NO1)C2=NC=CC3=CC=CC=C32)C(=O)N[C@H]4CC(=O)O[C@@]4(CF)OSynonyms(20)
NIVOCASAN908253-63-4GS-9450GS 9450LB844519554OW6MVULB-84451NIVOCASAN [INN]Nivocasan [USAN:INN]NIVOCASAN [USAN]NIVOCASAN [WHO-DD]UNII-9554OW6MVUNivocasan (USAN)LB 84451nivocasanum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nivocasan
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