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Complex #1242 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1242
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESCn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C41H28N10Ru/(1-30)(2-53)(3-36)(4-54)(5-58)(6-29)(7-37)(8-39)(9-35)(10-38)(11-40)(12-34)(13-42)(14-32)(15-56)(16-55)(17-43)(18-60)(19-52)(20-41)(21-57)(22-33)(23-31)(24-59)(25-44)(26-52)(27-52)(28-71)(29-30)(29-53)(30-45)(31-32)(31-47)(32-56)(33-34)(33-57)(34-50)(35-38)(35-45)(36-37)(36-46)(37-54)(38-46)(39-40)(39-48)(40-58)(41-44)(41-48)(42-43)(42-59)(43-51)(44-51)(45-61)(46-62)(47-65)(47-67)(48-63)(49-55)(49-60)(49-69)(50-66)(50-68)(51-64)(52-73)(53-74)(54-75)(55-72)(56-70)(57-79)(58-76)(59-77)(60-73)(61-62)(61-74)(62-75)(63-64)(63-76)(64-77)(65-66)(65-71)(66-78)(67-68)(67-70)(68-79)(69-71)(69-78)(72-73)(74-80)(75-80)(76-80)(77-80)(78-80)(79-80)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG226— 10.1016/j.ejmech.2017.07.066 2017
SGC-790142— 10.1016/j.ejmech.2017.07.066 2017
HeLa68— 10.1016/j.ejmech.2017.07.066 2017
A549—— 10.1016/j.ejmech.2017.07.066 2017
BEL-7402—— 10.1016/j.ejmech.2017.07.066 2017
SiHa—— 10.1016/j.ejmech.2017.07.066 2017
LO2—— 10.1016/j.ejmech.2017.07.066 2017

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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