home← all complexes Ir builderC^N familiesD-MPNN

Complex #1854 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1854
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESc1cc2c3c(cccc3c1)-c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc1-2.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C50H30N10Ru/(1-48)(2-43)(3-41)(4-39)(5-61)(6-62)(7-40)(8-52)(9-63)(10-64)(11-44)(12-42)(13-31)(14-33)(15-34)(16-35)(17-53)(18-65)(19-32)(20-36)(21-38)(22-37)(23-66)(24-50)(25-54)(26-51)(27-47)(28-46)(29-49)(30-45)(31-32)(31-33)(32-68)(33-61)(34-35)(34-37)(35-62)(36-38)(36-46)(37-69)(38-63)(39-40)(39-41)(40-55)(41-60)(42-43)(42-55)(43-48)(44-71)(44-80)(45-47)(45-49)(46-75)(47-64)(48-56)(49-79)(50-67)(50-78)(51-52)(51-66)(52-57)(53-54)(53-65)(54-58)(55-59)(56-59)(56-72)(57-73)(57-76)(58-70)(58-77)(59-60)(60-74)(61-85)(62-86)(63-87)(64-88)(65-82)(66-84)(67-80)(67-81)(68-75)(68-85)(69-79)(69-86)(70-73)(70-82)(71-78)(71-89)(72-74)(72-89)(73-84)(74-83)(75-87)(76-77)(76-90)(77-81)(78-83)(79-88)(80-90)(85-91)(86-91)(87-91)(88-91)(89-91)(90-91)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SK-BR-313— 10.1016/j.ejmech.2013.03.015 2013
BEL-740213— 10.1016/j.ejmech.2013.03.015 2013
HeLa15— 10.1016/j.ejmech.2013.03.015 2013
MG-6316— 10.1016/j.ejmech.2013.03.015 2013

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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