Ly-2300559
3-[(S)-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-hydroxymethyl]benzoic acid
Molecular Identity
Ly-2300559
3-[(S)-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-hydroxymethyl]benzoic acid
PubChem CID: 11611800
2D Structure
Properties
C26H26O6
Molecular Formula
434.50
Molecular Weight
g/mol
434.1729
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
613
Complexity
SMILES
Canonical SMILES
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)C(C3=CC(=CC=C3)C(=O)O)OIsomeric SMILES
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=C(C=C2)[C@@H](C3=CC(=CC=C3)C(=O)O)OSynonyms(19)
LY-2300559889116-06-7Z572ZBT8XLLY2300559Benzoic acid, 3-((S)-(4-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenyl)hydroxymethyl)-RefChem:1545373-((S)-(4-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenyl)(hydroxy)methyl)benzoic acid3-[(S)-[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]-hydroxymethyl]benzoic acidUNII-Z572ZBT8XLSCHEMBL481118CHEMBL4297398AKOS040748833DB13016(S)-3-((4-((4-acetyl-3-hydroxy-2-propylphenoxy)methyl)phenyl)(hydroxy)methyl)benzoic acidHY-111197
Data from PubChem (NCBI)
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Drug Network
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