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Complex #3129 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID3129
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3
SMILESFc1cc2nc3c4cccnc4c4ncccc4c3nc2cc1F.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C38H24F2N8Ru/(1-45)(2-26)(3-34)(4-28)(5-27)(6-46)(7-31)(8-29)(9-50)(10-47)(11-48)(12-49)(13-41)(14-25)(15-30)(16-38)(17-32)(18-42)(19-35)(20-36)(21-33)(22-37)(23-40)(24-39)(25-27)(25-51)(26-27)(26-45)(28-32)(28-46)(29-34)(29-43)(30-32)(30-55)(31-33)(31-47)(33-38)(34-50)(35-57)(35-62)(36-60)(36-61)(37-40)(37-48)(38-56)(39-40)(39-58)(41-42)(41-49)(42-44)(43-54)(43-59)(44-52)(44-53)(45-65)(46-66)(47-67)(48-68)(49-70)(50-63)(51-55)(51-65)(52-54)(52-69)(53-59)(53-70)(54-64)(55-66)(56-58)(56-67)(57-60)(57-69)(58-68)(59-63)(60-64)(61-62)(61-71)(62-72)(65-73)(66-73)(67-73)(68-73)(69-73)(70-73)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa8.1 10.1039/c9dt01594a 2019
SK-OV-37.7 10.1039/c9dt01594a 2019
LO230 10.1039/c9dt01594a 2019

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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