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Complex #2706 — Ru(2) [[Ru(phen)2(p-BrPIP)](ClO4)2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2706
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation[Ru(phen)2(p-BrPIP)](ClO4)2
SMILESBrc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C43H27BrN8Ru/(1-55)(2-38)(3-28)(4-41)(5-31)(6-56)(7-29)(8-30)(9-32)(10-33)(11-37)(12-57)(13-40)(14-34)(15-60)(16-42)(17-39)(18-43)(19-47)(20-46)(21-45)(22-58)(23-35)(24-36)(25-59)(26-44)(27-72)(28-29)(28-55)(29-48)(30-32)(30-49)(31-37)(31-56)(32-57)(33-35)(33-51)(34-36)(34-60)(35-58)(36-50)(37-52)(38-41)(38-48)(39-40)(39-54)(40-70)(41-49)(42-44)(42-59)(43-45)(43-52)(44-53)(45-53)(46-47)(46-70)(47-54)(48-61)(49-62)(50-64)(50-67)(51-65)(51-68)(52-63)(53-66)(54-69)(55-73)(56-74)(57-76)(58-75)(59-78)(60-71)(61-62)(61-73)(62-76)(63-66)(63-74)(64-65)(64-72)(65-77)(66-78)(67-68)(67-71)(68-75)(69-72)(69-77)(70-79)(73-80)(74-80)(75-80)(76-80)(77-80)(78-80)

Measurements (11)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
U2OS11— 10.1179/1973947813y.0000000138 2014
A54912— 10.1016/j.jinorgbio.2018.01.01... 2018
A37513— 10.1016/j.jinorgbio.2018.01.01... 2018
EC970613— 10.1179/1973947813y.0000000138 2014
MCF-721— 10.1016/j.jinorgbio.2018.01.01... 2018
A37535— 10.1016/j.jinorgbio.2018.01.01... 2018
A54938— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B44— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa45— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa77— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B1.1e+02— 10.1016/j.jinorgbio.2018.01.01... 2018

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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