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Complex #3554 — Ru(2) [Ru2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3554
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2}
AbbreviationRu2
SMILESCc1ccc(C(C)C)cc1.Clc1ccc(/N=C2C(=N/c3ccc(Cl)cc3)/c3cccc4cccc/2c34)cc1.[Cl-]

TUCAN

C34H28Cl2N2Ru/(1-33)(2-43)(3-29)(4-30)(5-56)(6-29)(7-45)(8-40)(9-32)(10-41)(11-38)(12-47)(13-39)(14-49)(15-46)(16-35)(17-42)(18-44)(19-36)(20-30)(21-34)(22-30)(23-31)(24-48)(25-37)(26-29)(27-31)(28-31)(29-51)(30-56)(31-56)(32-33)(32-57)(33-61)(34-36)(34-51)(35-43)(35-57)(36-52)(37-48)(37-52)(38-40)(38-41)(39-46)(39-47)(40-54)(41-53)(42-45)(42-59)(43-61)(44-49)(44-59)(45-62)(46-54)(47-55)(48-51)(49-62)(50-53)(50-54)(50-55)(52-56)(53-58)(55-60)(57-63)(58-60)(58-63)(59-64)(60-64)(61-65)(62-66)(63-67)(64-67)

Measurements (10)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CT-261.2— 10.1016/j.ejmech.2020.112763 2020
HepG22.8— 10.1016/j.ejmech.2020.112763 2020
NIH-3T33.4— 10.1016/j.ejmech.2020.112763 2020
CT-263.5— 10.1016/j.ejmech.2020.112763 2020
HCT-1163.8— 10.1016/j.ejmech.2020.112763 2020
A5493.9— 10.1016/j.ejmech.2020.112763 2020
HeLa4— 10.1016/j.ejmech.2020.112763 2020
HT-294.1— 10.1016/j.ejmech.2020.112763 2020
HepG24.1— 10.1016/j.ejmech.2020.112763 2020
SMMC-77214.2— 10.1016/j.ejmech.2020.112763 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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