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Complex #582 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID582
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESNCc1ccncc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1cnn(C(n2cccn2)n2cccn2)c1

TUCAN

C34H28N12Ru/(1-30)(2-46)(3-32)(4-33)(5-54)(6-48)(7-51)(8-29)(9-36)(10-41)(11-31)(12-47)(13-55)(14-40)(15-45)(16-39)(17-50)(18-38)(19-53)(20-62)(21-35)(22-34)(23-49)(24-55)(25-37)(26-52)(27-63)(28-63)(29-30)(29-54)(30-44)(31-43)(31-47)(32-41)(32-58)(33-48)(33-53)(34-35)(34-51)(35-42)(36-45)(36-46)(37-43)(37-52)(38-40)(38-60)(39-49)(39-50)(40-41)(42-56)(42-59)(43-55)(44-57)(44-61)(45-68)(46-73)(47-71)(48-67)(49-74)(50-69)(51-65)(52-71)(53-66)(54-70)(55-63)(56-61)(56-64)(57-59)(57-70)(58-60)(58-72)(59-65)(60-64)(61-72)(62-67)(62-68)(62-69)(66-67)(68-73)(69-74)(70-75)(71-75)(72-75)(73-75)(74-75)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-116 10.1039/d0sc02825h 2020
DLD-1 10.1039/d0sc02825h 2020
HT-29 10.1039/d0sc02825h 2020
HeLa 10.1039/d0sc02825h 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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