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Complex #4742 — Ru(2) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID4742
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation2a
SMILESCOC(=O)c1c(C)nn(-c2ccccn2)c1-c1ccccc1O.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]

TUCAN

C29H33N3O3Ru/(1-34)(2-34)(3-34)(4-35)(5-35)(6-35)(7-36)(8-36)(9-36)(10-37)(11-37)(12-37)(13-38)(14-38)(15-38)(16-47)(17-45)(18-46)(19-40)(20-60)(21-40)(22-60)(23-60)(24-40)(25-56)(26-39)(27-39)(28-43)(29-42)(30-44)(31-39)(32-41)(33-67)(34-48)(35-49)(36-50)(37-51)(38-52)(39-53)(40-58)(41-42)(41-61)(42-43)(43-44)(44-54)(45-46)(45-47)(46-59)(47-56)(48-49)(48-50)(49-51)(50-52)(51-53)(52-53)(54-57)(54-61)(55-57)(55-58)(55-62)(56-64)(57-63)(58-65)(59-63)(59-64)(60-68)(61-67)(62-66)(62-68)(63-65)(64-69)(65-69)(68-69)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NALM641— 10.1016/j.poly.2019.04.065 2019
HL6051— 10.1016/j.poly.2019.04.065 2019
WM11552— 10.1016/j.poly.2019.04.065 2019
COLO-20559— 10.1016/j.poly.2019.04.065 2019

Source-assisted 2D generator

Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.

experimental validation surface
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