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Complex #3244 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3244
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESFC(F)(F)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C44H27F3N8Ru/(1-56)(2-28)(3-29)(4-39)(5-45)(6-38)(7-57)(8-32)(9-30)(10-34)(11-35)(12-36)(13-43)(14-46)(15-31)(16-47)(17-58)(18-40)(19-33)(20-60)(21-59)(22-37)(23-44)(24-61)(25-42)(26-41)(27-73)(28-29)(28-56)(29-48)(30-40)(30-57)(31-46)(31-50)(32-34)(32-48)(33-39)(33-58)(34-49)(35-36)(35-54)(36-55)(37-44)(37-52)(38-45)(38-51)(39-49)(40-54)(41-42)(41-60)(42-55)(43-47)(43-53)(44-45)(46-61)(47-59)(48-62)(49-63)(50-66)(50-68)(51-52)(51-71)(52-70)(53-67)(53-69)(54-64)(55-65)(56-74)(57-75)(58-76)(59-72)(60-78)(61-79)(62-63)(62-74)(63-76)(64-65)(64-75)(65-78)(66-69)(66-77)(67-68)(67-72)(68-79)(69-73)(70-73)(70-77)(71-80)(71-81)(71-82)(74-83)(75-83)(76-83)(77-83)(78-83)(79-83)

Measurements (14)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5493— 10.1016/j.ejmech.2018.12.041 2019
CNE-13.9— 10.1016/j.ejmech.2018.12.041 2019
HepG24— 10.1016/j.ejmech.2018.12.041 2019
MDA-MB-23112— 10.1016/j.ejmech.2018.12.041 2019
MG-6321— 10.1002/cmdc.201300379 2014
C624— 10.1080/00958972.2016.1237633 2016
HaCaT27— 10.1016/j.ejmech.2018.12.041 2019
HepG236— 10.1080/00958972.2016.1237633 2016
MDA-MB-23137— 10.1080/00958972.2016.1237633 2016
A54984— 10.1080/00958972.2016.1237633 2016
A5491e+02— 10.1002/cmdc.201300379 2014
MCF-71.2e+02— 10.1080/00958972.2016.1237633 2016
MCF-7—— 10.1002/cmdc.201300379 2014
HK-2—— 10.1002/cmdc.201300379 2014

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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