Mk-0533
(2R)-2-[3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]phenoxy]butanoic acid
Molecular Identity
Mk-0533
(2R)-2-[3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]phenoxy]butanoic acid
PubChem CID: 11678534
2D Structure
Properties
C28H24F3NO6
Molecular Formula
527.50
Molecular Weight
g/mol
527.1556
Exact Mass
Da
7
XLogP
Above Lipinski threshold
87
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
817
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C(=O)O)OC1=CC=CC(=C1)N2C(=C(C3=C2C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)OC)CIsomeric SMILES
SMILES: CC[C@H](C(=O)O)OC1=CC=CC(=C1)N2C(=C(C3=C2C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)OC)CSynonyms(20)
MK-0533668455-28-5MK0533J17152066BUNII-J17152066BButanoic acid, 2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)-, (2R)-(2r)-2-{3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1h-indol-1-yl]phenoxy}butanoic acid(2R)-2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)butanoic acidButanoic acid, 2-[3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]phenoxy]-, (2R)-RefChem:159173(R)-2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)butanoic acidCHEMBL490029(2R)-2-[3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]phenoxy]butanoic Acid2-[3-[3-(4-Methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]phenoxy]-(2R)-butanoic Acid2-?[3-?[3-?(4-Methoxybenzoyl)?-?2-?methyl-?6-?(trifluoromethoxy)?-?1H-?indol-?1-?yl]?phenoxy]?-(2R)?-butanoic Acid
Data from PubChem (NCBI)
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