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Complex #3262 — Ru(2) [Ru(II)-2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3262
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu(II)-2
SMILESFc1ccc(C=Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C45H29FN8Ru/(1-59)(2-36)(3-43)(4-31)(5-39)(6-33)(7-60)(8-30)(9-42)(10-41)(11-37)(12-44)(13-32)(14-40)(15-38)(16-35)(17-61)(18-34)(19-47)(20-50)(21-49)(22-48)(23-46)(24-51)(25-62)(26-63)(27-64)(28-45)(29-76)(30-31)(30-52)(31-59)(32-46)(32-53)(33-40)(33-60)(34-50)(34-74)(35-38)(35-62)(36-37)(36-63)(37-56)(38-54)(39-42)(39-52)(40-55)(41-45)(41-61)(42-53)(43-44)(43-73)(44-58)(45-57)(46-64)(47-48)(47-55)(48-57)(49-51)(49-74)(50-58)(51-58)(52-65)(53-66)(54-68)(54-70)(55-67)(56-69)(56-72)(57-71)(59-77)(60-78)(61-79)(62-75)(63-82)(64-80)(65-66)(65-77)(66-80)(67-71)(67-78)(68-69)(68-76)(69-81)(70-72)(70-75)(71-79)(72-82)(73-76)(73-81)(74-83)(77-84)(78-84)(79-84)(80-84)(81-84)(82-84)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG218 10.1016/j.jinorgbio.2021.11161... 2021
HeLa20 10.1016/j.jinorgbio.2021.11161... 2021
SGC-790123 10.1016/j.jinorgbio.2021.11161... 2021
A54928 10.1016/j.jinorgbio.2021.11161... 2021
LO2 10.1016/j.jinorgbio.2021.11161... 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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