2363165-42-6
[(1S,2R)-2-[(4S)-2-methyl-4-[1-[[1-(4-pyridin-4-ylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]-1,3-dihydroisoquinolin-4-yl]cyclopentyl] N-methylcarbamate
Molecular Identity
2363165-42-6
[(1S,2R)-2-[(4S)-2-methyl-4-[1-[[1-(4-pyridin-4-ylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]-1,3-dihydroisoquinolin-4-yl]cyclopentyl] N-methylcarbamate
PubChem CID: 138454904
2D Structure
Properties
C37H47N5O4S
Molecular Formula
657.90
Molecular Weight
g/mol
657.3349
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
103
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
2363165-42-6M?89M-89CHEMBL4449381[(1S,2R)-2-[(4S)-2-methyl-4-[1-[[1-(4-pyridin-4-ylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]-1,3-dihydroisoquinolin-4-yl]cyclopentyl] N-methylcarbamate(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamateorb1309453GLXC-213302145119-20-4EX-A4361M89BDBM50516582AKOS040733654AT28508DA-65173
Data from PubChem (NCBI)
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