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Complex #384 — Ru(2) [Ru(II)-3]

2D Structure

Structure
⬇ MOL V3000

Info

ID384
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu(II)-3
SMILESC(=C/c1ccco1)\c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1

TUCAN

C43H36N8ORu/(1-37)(2-64)(3-37)(4-41)(5-45)(6-37)(7-42)(8-38)(9-65)(10-43)(11-46)(12-47)(13-66)(14-68)(15-56)(16-53)(17-52)(18-55)(19-54)(20-48)(21-78)(22-50)(23-38)(24-38)(25-39)(26-39)(27-39)(28-49)(29-67)(30-40)(31-40)(32-40)(33-51)(34-63)(35-44)(36-81)(37-57)(38-59)(39-60)(40-61)(41-57)(41-69)(42-59)(42-70)(43-60)(43-71)(44-48)(44-63)(45-57)(45-64)(46-59)(46-65)(47-60)(47-66)(48-58)(49-54)(49-67)(50-61)(50-68)(51-61)(51-73)(52-53)(52-78)(53-79)(54-62)(55-56)(55-79)(56-77)(58-72)(58-74)(62-75)(62-76)(63-84)(64-82)(65-83)(66-85)(67-80)(68-87)(69-70)(69-82)(70-83)(71-73)(71-85)(72-76)(72-84)(73-87)(74-75)(74-86)(75-81)(76-80)(77-81)(77-86)(78-88)(79-88)(82-89)(83-89)(84-89)(85-89)(86-89)(87-89)(88-89)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54923 10.1016/j.jinorgbio.2020.11110... 2020
HeLa83 10.1016/j.jinorgbio.2020.11110... 2020
HepG2 10.1016/j.jinorgbio.2020.11110... 2020
SGC-7901 10.1016/j.jinorgbio.2020.11110... 2020

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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