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Complex #2638 — Ru(2) [Ru-1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2638
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu-1
SMILESCN(C)NC(=O)CCC(=O)OCc1ccnc(-c2cc(CO)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C42H38N8O4Ru/(1-65)(2-39)(3-40)(4-42)(5-66)(6-69)(7-44)(8-52)(9-56)(10-56)(11-55)(12-63)(13-55)(14-78)(15-63)(16-46)(17-41)(18-48)(19-49)(20-68)(21-43)(22-51)(23-63)(24-64)(25-47)(26-45)(27-70)(28-77)(29-50)(30-78)(31-77)(32-67)(33-54)(34-53)(35-64)(36-64)(37-81)(38-91)(39-42)(39-65)(40-41)(40-57)(41-58)(42-57)(43-45)(43-61)(44-46)(44-66)(45-62)(46-58)(47-60)(47-75)(48-59)(48-67)(49-59)(49-74)(50-60)(50-68)(51-52)(51-61)(52-69)(53-54)(53-70)(54-62)(55-56)(55-79)(56-80)(57-71)(58-72)(59-77)(60-78)(61-73)(62-76)(63-82)(64-82)(65-83)(66-84)(67-86)(68-87)(69-85)(70-88)(71-72)(71-83)(72-84)(73-76)(73-85)(74-75)(74-86)(75-87)(76-88)(77-91)(78-92)(79-81)(79-90)(80-89)(80-92)(81-82)(83-93)(84-93)(85-93)(86-93)(87-93)(88-93)(91-93)(92-93)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa 10.3390/inorganics11040142 2023
A549 10.3390/inorganics11040142 2023
A549cisR 10.3390/inorganics11040142 2023
HepG2 10.3390/inorganics11040142 2023
LO2 10.3390/inorganics11040142 2023

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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