Encaleret
4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid
Molecular Identity
Encaleret
4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acid
PubChem CID: 46917559
2D Structure
Properties
C29H33ClFNO4
Molecular Formula
514.00
Molecular Weight
g/mol
513.2082
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
78.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
694
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)C2=CC=CC=C2C(C)OCC(CNC(C)(C)CC3=CC(=C(C=C3)Cl)F)O)C(=O)OIsomeric SMILES
SMILES: CC1=C(C=CC(=C1)C2=CC=CC=C2[C@@H](C)OC[C@@H](CNC(C)(C)CC3=CC(=C(C=C3)Cl)F)O)C(=O)OSynonyms(20)
ENCALERET787583-71-5Encaleret [INN]Encaleret [USAN:INN]UNII-EF8081AQ6GEncaleret (USAN)EF8081AQ6G4-[2-[(1R)-1-[(2R)-3-[[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]ethyl]phenyl]-2-methylbenzoic acidENCALERET [USAN]ENCALERET [WHO-DD]CLTX305CLTX-305(1,1'-Biphenyl)-4-carboxylic acid, 2'-((1R)-1-((2R)-3-((2-(4-chloro-3-fluorophenyl)-1,1-dimethylethyl)amino)-2-hydroxypropoxy)ethyl)-3-methyl-2'-((1R)-1-(((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-(2R)-2-hydroxypropoxy)ethyl)-3-methyl(1,1'-biphenyl)-4-carboxylic acid2'-((1R)-1-(((2R)-3-((1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl)amino)-2-hydroxypropyl)oxy)ethyl)-3-methyl-1,1'-biphenyl-4-carboxylic acid
Data from PubChem (NCBI)
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