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Complex #337 — Ru(2) [Ru3]

2D Structure

Structure
⬇ MOL V3000

Info

ID337
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 4}
AbbreviationRu3
SMILESCC1=CC(=O)c2c([O-])cccc2C1=O.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C35H23N4O3Ru/(1-26)(2-27)(3-35)(4-28)(5-30)(6-48)(7-40)(8-25)(9-36)(10-29)(11-49)(12-50)(13-31)(14-24)(15-24)(16-32)(17-37)(18-34)(19-38)(20-51)(21-24)(22-33)(23-39)(24-41)(25-41)(25-56)(26-28)(26-43)(27-35)(27-48)(28-44)(29-31)(29-45)(30-37)(30-49)(31-46)(32-36)(32-50)(33-39)(33-42)(34-38)(34-51)(35-43)(36-44)(37-45)(38-46)(39-40)(40-58)(41-57)(42-47)(42-57)(43-52)(44-53)(45-54)(46-55)(47-56)(47-58)(48-59)(49-60)(50-61)(51-62)(52-53)(52-59)(53-61)(54-55)(54-60)(55-62)(56-64)(57-65)(58-63)(59-66)(60-66)(61-66)(62-66)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MGC-8031.3 10.1016/j.ejmech.2022.114312 2022
HepG21.5 10.1016/j.ejmech.2022.114312 2022
T241.8 10.1016/j.ejmech.2022.114312 2022
HeLa3 10.1016/j.ejmech.2022.114312 2022
BEL-74025.1 10.1016/j.ejmech.2022.114312 2022
SK-OV-35.3 10.1016/j.ejmech.2022.114312 2022
HL-77028.4 10.1016/j.ejmech.2022.114312 2022

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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