Aticaprant
4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
Molecular Identity
Aticaprant
4-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide
PubChem CID: 44129648
2D Structure
Properties
C26H27FN2O2
Molecular Formula
418.50
Molecular Weight
g/mol
418.2057
Exact Mass
Da
5
XLogP
Above Lipinski threshold
55.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
584
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Aticaprant1174130-61-0LY-2456302JSPA0658JSPA-0658DE4G8X55F54-[4-[[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamideDTXSID901517774-(4-{[(2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl}phenoxy)-3-fluorobenzamide4-[4-[[(2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamideaticaprantum4-(4-(((2S)-2-(3,5-Dimethylphenyl)-1-pyrrolidinyl)methyl)phenoxy)-3-fluorobenzamide4-(4-(((2S)-2-(3,5-dimethylphenyl)pyrrolidin-1-yl)methyl)phenoxy)-3-fluorobenzamideRefChem:560309DTXCID5074268
Data from PubChem (NCBI)
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