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Complex #225 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID225
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2, "O": 1}
Abbreviation4
SMILESCOc1cccc(C=Nc2c(C)cc(CN3CCOCC3)cc2C)c1[O-].Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C31H39N2O3Ru/(1-51)(2-45)(3-40)(4-67)(5-43)(6-40)(7-50)(8-67)(9-42)(10-40)(11-42)(12-41)(13-52)(14-60)(15-42)(16-43)(17-62)(18-41)(19-41)(20-43)(21-44)(22-61)(23-66)(24-66)(25-47)(26-48)(27-63)(28-63)(29-46)(30-44)(31-49)(32-66)(33-62)(34-64)(35-44)(36-68)(37-68)(38-53)(39-64)(40-60)(41-60)(42-54)(43-57)(44-59)(45-51)(45-54)(46-57)(46-58)(47-48)(47-56)(48-49)(49-69)(50-52)(50-54)(51-55)(52-55)(53-58)(53-59)(55-60)(56-61)(56-70)(57-65)(58-63)(59-65)(61-72)(62-67)(62-71)(63-71)(64-68)(64-71)(65-72)(66-74)(67-75)(68-75)(69-70)(69-74)(70-73)(72-76)(74-76)(75-76)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2313 10.1021/acs.inorgchem.1c01363 2021
MIA PaCa-27.3 10.1021/acs.inorgchem.1c01363 2021
HepG29.1 10.1021/acs.inorgchem.1c01363 2021

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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