AG001XF6

1675203-84-5 | Acetamide, N-[2-[[[2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]-3-pyridinyl]methyl]amino]ethyl]-

AG001XF6

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CAS Number	1675203-84-5
Catalog Number	AG001XF6(AGN-PC-0WQUBA)
Chemical Name	Acetamide, N-[2-[[[2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]-3-pyridinyl]methyl]amino]ethyl]-
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
MDL Number	MFCD29905455
Molecular Formula	C25H29N3O3
Molecular Weight	419.5161
SMILES	CC(NCCNCC1=CC=C(OCC2=C(C)C(C3=CC=CC=C3)=CC=C2)N=C1OC)=O
Synonyms	PD1-PDL1 inhibitor 2, 1675203-84-5, BMS-202, PD-1/PD-L1 inhibitor 2, BMS202, BMS202 (PD-1/PD-L1 inhibitor 2), PD-L1 inhibitor 1, N-[2-[[2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl]methylamino]ethyl]acetamide, N-{2-[({2-methoxy-6-[(2-methyl-3-phenylphenyl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, N-{2-[({2-Methoxy-6-[(2-Methyl[1,1'-Biphenyl]-3-Yl)methoxy]pyridin-3-Yl}methyl)amino]ethyl}acetamide, pd-1-pd-l1-inhibitor-2, GTPL9607, CHEMBL4089730, SCHEMBL16566296, BCP16068, EX-A1330, MFCD29905455, s7912, AKOS030524803, ZINC306122895, CS-5441, SB19679, compound 1c [PMID: 28613862], BMS-202; PD-1/PD-L1 inhibitor 2, PD-1/PD-L1 inhibitor 2(BMS-202), AK544119, HY-19745, 6GX, Acetamide, N-[2-[[[2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]-3-pyridinyl]methyl]amino]ethyl]-, N-[2-({[2-methoxy-6-({2-methyl-[1,1'-biphenyl]-3-yl}methoxy)pyridin-3-yl]methyl}amino)ethyl]acetamide, A15906,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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