MK-0359
3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
Molecular Identity
MK-0359
3-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole
PubChem CID: 9853498
2D Structure
Properties
C31H29N3O5S2
Molecular Formula
587.70
Molecular Weight
g/mol
587.1549
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
137
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NOC(=N1)C(=CC2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)C5=CC=C(C=C5)S(=O)(=O)CIsomeric SMILES
SMILES: CC1=NOC(=N1)/C(=C/C2=CC(=CC=C2)C3=C4C(=CC(=C3)C(C)(C)S(=O)(=O)C)C=CC=N4)/C5=CC=C(C=C5)S(=O)(=O)CSynonyms(20)
MK-0359UNII-G6GSO9SDNJL-454560G6GSO9SDNJQuinoline, 6-(1-methyl-1-(methylsulfonyl)ethyl)-8-(3-((1E)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(methylsulfonyl)phenyl)ethenyl)phenyl)-MK03593-methyl-5-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-1,2,4-oxadiazole3-methyl-5-((E)-1-(4-methylsulfonylphenyl)-2-(3-(6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl)phenyl)ethenyl)-1,2,4-oxadiazoleRefChem:159171346629-30-9CHEMBL3725756-(1-METHANESULFONYL-1-METHYL-ETHYL)-8-(3-[(E)-2-(4-METHANESULFONYL-PHENYL)-2-(3-METHYL-[1,2,4]OXADIAZOL-5-YL)-VINYL]-PHENYL)-QUINOLINE6-(1-Methanesulfonyl-1-methyl-ethyl)-8-{3-[(E)-2-(4-methanesulfonyl-phenyl)-2-(3-methyl-[1,2,4]oxadiazol-5-yl)-vinyl]-phenyl}-quinolineGTPL9852orb1696079
Data from PubChem (NCBI)
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