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1675203-84-5 | Acetamide, N-[2-[[[2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]-3-pyridinyl]methyl]amino]ethyl]-
CAS No: 1675203-84-5 Catalog No: AG001XF6 MDL No:MFCD29905455
Product Description
Catalog Number:
AG001XF6
Chemical Name:
Acetamide, N-[2-[[[2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]-3-pyridinyl]methyl]amino]ethyl]-
CAS Number:
1675203-84-5
Molecular Formula:
C25H29N3O3
Molecular Weight:
419.5161
MDL Number:
MFCD29905455
IUPAC Name:
N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide
InChI:
InChI=1S/C25H29N3O3/c1-18-22(10-7-11-23(18)20-8-5-4-6-9-20)17-31-24-13-12-21(25(28-24)30-3)16-26-14-15-27-19(2)29/h4-13,26H,14-17H2,1-3H3,(H,27,29)
InChI Key:
JEDPSOYOYVELLZ-UHFFFAOYSA-N
SMILES:
COc1nc(OCc2cccc(c2C)c2ccccc2)ccc1CNCCNC(=O)C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.221g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
419.525g/mol
Monoisotopic Mass:
419.221g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. | Journal of medicinal chemistry 20170713 |
| Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1). | Oncotarget 20160524 |
| Effects of bioisosteric fluorine in synthetic cannabinoid designer drugs JWH-018, AM-2201, UR-144, XLR-11, PB-22, 5F-PB-22, APICA, and STS-135. | ACS chemical neuroscience 20150819 |
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