CHEMBL2178963
1-[(2S,4S)-4-[4-(4-fluorophenyl)triazol-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
Molecular Identity
CHEMBL2178963
1-[(2S,4S)-4-[4-(4-fluorophenyl)triazol-1-yl]-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
PubChem CID: 70789754
2D Structure
Properties
C27H30FN5O2
Molecular Formula
475.60
Molecular Weight
g/mol
475.2384
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
71.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
718
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(7)
CHEMBL21789631-[(2s,4s)-4-[4-(4-Fluorophenyl)-1,2,3-Triazol-1-Yl]-2-Pyrrolidin-1-Ylcarbonyl-Pyrrolidin-1-Yl]-4-Phenyl-Butan-1-One4bcdBDBM50399734Q274661061-[(2S,4S)-4-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-4-phenylbutan-1-oneTDV
Data from PubChem (NCBI)
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