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Complex #2754 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2754
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESOCCNc1c(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C45H29F4N9ORu/(1-31)(2-35)(3-33)(4-53)(5-30)(6-32)(7-42)(8-34)(9-54)(10-55)(11-44)(12-36)(13-39)(14-38)(15-57)(16-70)(17-59)(18-40)(19-43)(20-58)(21-41)(22-45)(23-59)(24-70)(25-56)(26-37)(27-76)(28-77)(29-84)(30-35)(30-46)(31-33)(31-46)(32-38)(32-47)(33-47)(34-39)(34-48)(35-53)(36-43)(36-48)(37-45)(37-51)(38-54)(39-51)(40-41)(40-49)(41-56)(42-44)(42-55)(43-57)(44-52)(45-58)(46-60)(47-62)(48-63)(49-61)(49-66)(50-69)(50-71)(50-72)(51-64)(52-65)(52-68)(53-78)(54-80)(55-79)(56-75)(57-81)(58-82)(59-70)(59-77)(60-62)(60-78)(61-65)(61-76)(62-80)(63-64)(63-81)(64-82)(65-83)(66-68)(66-75)(67-73)(67-74)(67-77)(68-79)(69-76)(69-83)(70-84)(71-73)(71-85)(72-74)(72-86)(73-87)(74-88)(78-89)(79-89)(80-89)(81-89)(82-89)(83-89)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-790117— 10.1007/s11243-019-00365-9 2019
PC-1230— 10.1007/s11243-019-00365-9 2019
BEL-7402—— 10.1007/s11243-019-00365-9 2019
A549—— 10.1007/s11243-019-00365-9 2019
HeLa—— 10.1007/s11243-019-00365-9 2019
HepG2—— 10.1007/s11243-019-00365-9 2019
MG-63—— 10.1007/s11243-019-00365-9 2019
SiHa—— 10.1007/s11243-019-00365-9 2019
LO2—— 10.1007/s11243-019-00365-9 2019

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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