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Complex #4797 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4797
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1

TUCAN

C52H30N12RuS2/(1-49)(2-50)(3-58)(4-59)(5-42)(6-32)(7-43)(8-37)(9-35)(10-41)(11-79)(12-44)(13-60)(14-61)(15-80)(16-62)(17-45)(18-36)(19-38)(20-46)(21-34)(22-48)(23-31)(24-33)(25-47)(26-39)(27-40)(28-57)(29-87)(30-88)(31-42)(31-60)(32-34)(32-81)(33-43)(33-61)(34-79)(35-47)(35-82)(36-37)(36-50)(37-40)(38-49)(38-57)(39-45)(39-62)(40-75)(41-46)(41-51)(42-54)(43-55)(44-48)(44-52)(45-56)(46-58)(47-80)(48-59)(49-53)(50-69)(51-63)(51-72)(52-70)(52-73)(53-74)(53-76)(54-64)(54-66)(55-65)(55-71)(56-67)(56-68)(57-83)(58-85)(59-86)(60-90)(61-92)(62-93)(63-66)(63-85)(64-72)(64-89)(65-73)(65-91)(66-90)(67-76)(67-94)(68-74)(68-93)(69-75)(69-84)(70-71)(70-86)(71-92)(72-87)(73-88)(74-83)(75-94)(76-84)(77-81)(77-87)(77-89)(78-82)(78-88)(78-91)(79-95)(80-96)(81-95)(82-96)(89-97)(90-97)(91-97)(92-97)(93-97)(94-97)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-716— 10.1016/j.ejmech.2014.09.041 2014
A54923— 10.1016/j.ejmech.2014.09.041 2014
U25141— 10.1016/j.ejmech.2014.09.041 2014
HeLa55— 10.1016/j.ejmech.2014.09.041 2014
HepG291— 10.1016/j.ejmech.2014.09.041 2014

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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