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Complex #3174 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID3174
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3
SMILESCOc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.COc1ccncc1.COc1ccncc1.COc1ccncc1.COc1ccncc1

TUCAN

C43H40N8O5Ru/(1-42)(2-43)(3-77)(4-77)(5-74)(6-74)(7-75)(8-74)(9-58)(10-44)(11-59)(12-49)(13-52)(14-76)(15-60)(16-48)(17-63)(18-51)(19-41)(20-55)(21-67)(22-65)(23-76)(24-53)(25-64)(26-61)(27-76)(28-62)(29-50)(30-54)(31-46)(32-78)(33-66)(34-45)(35-78)(36-78)(37-77)(38-47)(39-75)(40-75)(41-61)(41-81)(42-58)(42-79)(43-59)(43-79)(44-60)(44-80)(45-62)(45-81)(46-47)(46-68)(47-82)(48-63)(48-80)(49-71)(49-82)(50-54)(50-65)(51-64)(51-83)(52-55)(52-56)(53-66)(53-83)(54-57)(55-67)(56-69)(56-72)(57-70)(57-73)(58-86)(59-86)(60-88)(61-87)(62-87)(63-88)(64-90)(65-89)(66-90)(67-84)(68-71)(68-91)(69-70)(69-84)(70-89)(71-85)(72-73)(72-85)(73-91)(74-92)(75-96)(76-93)(77-95)(78-94)(79-92)(80-93)(81-95)(82-96)(83-94)(86-97)(87-97)(88-97)(89-97)(90-97)(91-97)(95-97)(96-97)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa—1.8e+02 10.1021/acs.jmedchem.0c02257 2021
LO2—1.7e+02 10.1021/acs.jmedchem.0c02257 2021
A549—1.3e+02 10.1002/ppsc.202100193 2021
HeLa—1.8e+02 10.1002/ppsc.202100193 2021
SK-OV-3—1.4e+02 10.1002/ppsc.202100193 2021

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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