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Complex #555 — Ru(2) [Ru2]

2D Structure

Structure
⬇ MOL V3000

Info

ID555
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu2
SMILESFC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C46H31F3N8Ru/(1-62)(2-63)(3-32)(4-33)(5-40)(6-49)(7-43)(8-55)(9-34)(10-65)(11-64)(12-35)(13-67)(14-45)(15-39)(16-66)(17-41)(18-42)(19-54)(20-44)(21-38)(22-46)(23-52)(24-36)(25-37)(26-50)(27-53)(28-47)(29-48)(30-51)(31-79)(32-34)(32-62)(33-46)(33-63)(34-35)(35-69)(36-45)(36-70)(37-45)(37-64)(38-44)(38-59)(39-40)(39-58)(40-57)(41-55)(41-65)(42-43)(42-58)(43-57)(44-56)(46-47)(47-72)(48-52)(48-67)(49-54)(49-66)(50-53)(50-59)(51-52)(51-73)(53-56)(54-60)(55-61)(56-58)(57-76)(59-77)(60-68)(60-75)(61-71)(61-74)(62-80)(63-81)(64-82)(65-78)(66-85)(67-83)(68-71)(68-84)(69-70)(69-80)(70-82)(71-79)(72-73)(72-81)(73-83)(74-75)(74-78)(75-85)(76-79)(76-84)(77-86)(77-87)(77-88)(80-89)(81-89)(82-89)(83-89)(84-89)(85-89)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740236 10.1016/j.jinorgbio.2023.11223... 2023
HepG239 10.1016/j.jinorgbio.2023.11223... 2023
A54941 10.1016/j.jinorgbio.2023.11223... 2023
B1653 10.1016/j.jinorgbio.2023.11223... 2023
HeLa 10.1016/j.jinorgbio.2023.11223... 2023
LO2 10.1016/j.jinorgbio.2023.11223... 2023

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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