Q2GM754Llg
2-[[3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
Molecular Identity
Q2GM754Llg
2-[[3-[(E)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acid
PubChem CID: 138632287
2D Structure
Properties
C29H28F3NO5
Molecular Formula
527.50
Molecular Weight
g/mol
527.1920
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
88
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
823
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)C=CC4=C(C=CC(=C4)CNC(C)(CO)C(=O)O)C(F)(F)FIsomeric SMILES
SMILES: CC1=C(C=CC=C1C2=CC3=C(C=C2)OCCO3)/C=C/C4=C(C=CC(=C4)CNC(C)(CO)C(=O)O)C(F)(F)FSynonyms(17)
MAX-101812171558-14-6Q2GM754LLGPD-1/PD-L1-IN-30UNII-Q2GM754LLGCHEMBL4537970Serine, N-((3-((1E)-2-(3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl)ethenyl)-4-(trifluoromethyl)phenyl)methyl)-2-methyl-2-[[3-[(E)-2-[3-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]ethenyl]-4-(trifluoromethyl)phenyl]methylamino]-3-hydroxy-2-methylpropanoic acidorb1744712SCHEMBL20999203GLXC-27594EX-A8085BDBM50507504DA-66525HY-153064
Data from PubChem (NCBI)
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