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Complex #762 — Ru(2) [[3]Cl]

2D Structure

Structure
⬇ MOL V3000

Info

ID762
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2}
Abbreviation[3]Cl
SMILESC/C(=N/CC/N=C(/C)c1ccc(O)cc1O)c1ccc(O)cc1O.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C28H34N2O4Ru/(1-42)(2-35)(3-36)(4-36)(5-35)(6-36)(7-43)(8-40)(9-35)(10-37)(11-41)(12-54)(13-37)(14-37)(15-47)(16-55)(17-55)(18-56)(19-38)(20-56)(21-38)(22-38)(23-39)(24-39)(25-45)(26-44)(27-46)(28-48)(29-49)(30-39)(31-66)(32-68)(33-65)(34-67)(35-54)(36-50)(37-54)(38-57)(39-58)(40-42)(40-51)(41-47)(41-51)(42-50)(43-59)(43-60)(44-45)(44-60)(45-52)(46-61)(46-62)(47-50)(48-49)(48-61)(49-53)(51-54)(52-57)(52-59)(53-58)(53-62)(55-56)(55-63)(56-64)(57-63)(58-64)(59-66)(60-65)(61-67)(62-68)(63-69)(64-69)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2317 10.1016/j.poly.2024.117269 2024
A5497.5 10.1016/j.poly.2024.117269 2024
NCI-H46020 10.1016/j.poly.2024.117269 2024

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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