Glpg-0974
4-[[(2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid
Molecular Identity
Glpg-0974
4-[[(2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid
PubChem CID: 57520598
2D Structure
Properties
C25H25ClN2O4S
Molecular Formula
485.00
Molecular Weight
g/mol
484.1224
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
752
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CCN1C(=O)C2=CSC3=CC=CC=C32)C(=O)N(CCCC(=O)O)CC4=CC(=CC=C4)ClIsomeric SMILES
SMILES: C[C@@]1(CCN1C(=O)C2=CSC3=CC=CC=C32)C(=O)N(CCCC(=O)O)CC4=CC(=CC=C4)ClSynonyms(20)
GLPG09741391076-61-1GLPG-0974X7REK61AIS4-[[(2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl]-[(3-chlorophenyl)methyl]amino]butanoic acid4-((((2R)-1-(Benzo(b)thien-3-ylcarbonyl)-2-methyl-2-azetidinyl)carbonyl)((3-chlorophenyl)methyl)amino)butanoic acid4-(((R)-1-(Benzo(b)thiophene-3-carbonyl)-2-methyl-azetidine-2-carbonyl)-(3-chloro-benzyl)-amino)-butyric acid4-[[(R)-1-(benzo[b]thiophene-3-carbonyl)-2-methyl-azetidine-2-carbonyl]-(3-chloro-benzyl)-amino]-butyric acidButanoic acid, 4-((((2R)-1-(benzo(b)thien-3-ylcarbonyl)-2-methyl-2-azetidinyl)carbonyl)((3-chlorophenyl)methyl)amino)-4-(((2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidine-2-carbonyl)-((3-chlorophenyl)methyl)amino)butanoic acidRefChem:1435204-(1-((2R)-1-(1-benzothiophene-3-carbonyl)-2-methylazetidin-2-yl)-N-((3-chlorophenyl)methyl)formamido)butanoic acidGLPG 0974compound 99 [PMID 25380412]CHEMBL3353541
Data from PubChem (NCBI)
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