Fedovapagon
(2S)-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
Molecular Identity
Fedovapagon
(2S)-2-N,2-N-dimethyl-1-N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID: 10298385
2D Structure
Properties
C27H34N4O3
Molecular Formula
462.60
Molecular Weight
g/mol
462.2631
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
73
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
741
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)N4CCCC4C(=O)N(C)CIsomeric SMILES
SMILES: CC1=C(C=CC(=C1)C(=O)N2CCCCC3=CC=CC=C32)CNC(=O)N4CCC[C@H]4C(=O)N(C)CSynonyms(20)
Fedovapagon347887-36-9Fedovapagon [INN]UNII-VX2GBO4I0VVX2GBO4I0VVA-106483FEDOVAPAGON [WHO-DD]DTXSID40188331(2S)-N2,N2-dimethyl-N1-((2-Methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)phenyl)methyl)pyrrolidine-1,2-dicarboxamide1,2-Pyrrolidinedicarboxamide, N2,N2-dimethyl-N1-((2-methyl-4-((2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl)phenyl)methyl)-, (2S)-fedovapagonum(2S)-N2,N2-dimethyl-N1-{[2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepine-1-carbonyl)phenyl]methyl}pyrrolidine-1,2-dicarboxamideRefChem:140068DTXCID70110822(S)-N2,N2-dimethyl-N1-(2-methyl-4-(2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)benzyl)pyrrolidine-1,2-dicarboxamide
Data from PubChem (NCBI)
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