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Complex #4158 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4158
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESc1cc2c3c(cccc3c1)-c1nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C56H34N10Ru/(1-53)(2-48)(3-71)(4-46)(5-52)(6-72)(7-49)(8-60)(9-73)(10-74)(11-50)(12-47)(13-35)(14-37)(15-45)(16-75)(17-39)(18-38)(19-76)(20-55)(21-57)(22-54)(23-36)(24-41)(25-43)(26-40)(27-59)(28-62)(29-61)(30-58)(31-44)(32-51)(33-56)(34-42)(35-36)(35-37)(36-79)(37-71)(38-39)(38-72)(39-40)(40-80)(41-43)(41-51)(42-44)(42-56)(43-73)(44-74)(45-46)(45-49)(46-70)(47-48)(47-65)(48-53)(49-65)(50-64)(50-83)(51-87)(52-55)(52-86)(53-66)(54-59)(54-76)(55-64)(56-90)(57-63)(57-77)(58-60)(58-88)(59-69)(60-63)(61-62)(61-75)(62-67)(63-64)(65-68)(66-68)(66-81)(67-82)(67-89)(68-70)(69-84)(69-85)(70-78)(71-95)(72-96)(73-97)(74-98)(75-94)(76-93)(77-88)(77-91)(78-81)(78-92)(79-87)(79-95)(80-90)(80-96)(81-99)(82-84)(82-94)(83-86)(83-99)(84-93)(85-89)(85-100)(86-92)(87-97)(88-100)(89-91)(90-98)(95-101)(96-101)(97-101)(98-101)(99-101)(100-101)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54910— 10.1039/c6ra11391e 2016
BEL-7402—— 10.1039/c6ra11391e 2016
HeLa—— 10.1039/c6ra11391e 2016
HepG2—— 10.1039/c6ra11391e 2016
MG-63—— 10.1039/c6ra11391e 2016
HLF—— 10.1039/c6ra11391e 2016

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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