Lgd-6972
2-[[4-[(2R)-2-[4-(4-tert-butylphenyl)phenyl]-3-oxo-3-[4-(2,4,6-trimethylphenyl)anilino]propyl]benzoyl]amino]ethanesulfonic acid
Molecular Identity
Lgd-6972
2-[[4-[(2R)-2-[4-(4-tert-butylphenyl)phenyl]-3-oxo-3-[4-(2,4,6-trimethylphenyl)anilino]propyl]benzoyl]amino]ethanesulfonic acid
PubChem CID: 44625560
2D Structure
Properties
C43H46N2O5S
Molecular Formula
702.90
Molecular Weight
g/mol
702.3127
Exact Mass
Da
8.9
XLogP
Above Lipinski threshold
121
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
1200
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)NC(=O)C(CC3=CC=C(C=C3)C(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)CIsomeric SMILES
SMILES: CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=C(C=C3)C(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)CSynonyms(20)
LGD-69721207989-09-0MB-112626IJ842I0Z2Ethanesulfonic acid, 2-((4-((2R)-2-(4'-(1,1-dimethylethyl)(1,1'-biphenyl)-4-yl)-3-oxo-3-((2',4',6'-trimethyl(1,1'-biphenyl)-4-yl)amino)propyl)benzoyl)amino)-Ethanesulfonic acid, 2-[[4-[(2R)-2-[4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-yl]-3-oxo-3-[(2',4',6'-trimethyl[1,1'-biphenyl]-4-yl)amino]propyl]benzoyl]amino]-RefChem:1532612-((4-((2R)-2-(4'-tert-butyl-(1,1'-biphenyl)-4-yl)-2-((2',4',6'-trimethyl-(1,1'-biphenyl)-4-yl)carbamoyl)ethyl)phenyl)formamido)ethane-1-sulfonic acid2-[[4-[(2R)-2-[4-(4-tert-butylphenyl)phenyl]-3-oxo-3-[4-(2,4,6-trimethylphenyl)anilino]propyl]benzoyl]amino]ethanesulfonic acid(R)-2-(4-(2-(4'-(tert-butyl)-[1,1'-biphenyl]-4-yl)-3-oxo-3-((2',4',6'-trimethyl-[1,1'-biphenyl]-4-yl)amino)propyl)benzamido)ethane-1-sulfonic acidMFCD284113701207989-09-0 (free)UNII-6IJ842I0Z2orb1709263CHEMBL4297469
Data from PubChem (NCBI)
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