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Complex #42 — Ru(2) [3a]

2D Structure

Structure
⬇ MOL V3000

Info

ID42
MetalRu
Oxidation state2
Charge2
Donor atoms{"O": 1, "N": 5}
Abbreviation3a
SMILESO=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C43H27N9O2Ru/(1-55)(2-29)(3-28)(4-30)(5-56)(6-41)(7-31)(8-32)(9-37)(10-42)(11-38)(12-47)(13-40)(14-60)(15-36)(16-35)(17-57)(18-43)(19-44)(20-39)(21-33)(22-34)(23-46)(24-58)(25-45)(26-59)(27-72)(28-29)(28-48)(29-55)(30-38)(30-49)(31-37)(31-48)(32-39)(32-56)(33-35)(33-58)(34-36)(34-51)(35-50)(36-60)(37-49)(38-57)(39-52)(40-43)(40-52)(41-42)(41-66)(42-53)(43-54)(44-45)(44-59)(45-54)(46-47)(46-53)(47-66)(48-61)(49-62)(50-65)(50-69)(51-63)(51-67)(52-64)(53-70)(54-68)(55-74)(56-75)(57-76)(58-71)(59-78)(60-79)(61-62)(61-74)(62-76)(63-69)(63-77)(64-68)(64-75)(65-67)(65-71)(66-73)(67-79)(68-78)(69-72)(70-72)(70-77)(73-80)(73-81)(74-82)(75-82)(76-82)(77-82)(78-82)(79-82)

Measurements (16)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG210— 10.1021/ic100277w 2010
A37511— 10.1016/j.jinorgbio.2018.01.01... 2018
A37517— 10.1021/ic100277w 2010
KB20— 10.1016/j.jinorgbio.2007.07.03... 2007
BEL-740220— 10.1016/j.jinorgbio.2007.07.03... 2007
HL6028— 10.1016/j.jinorgbio.2007.07.03... 2007
L121034— 10.1016/j.jinorgbio.2007.07.03... 2007
SW62037— 10.1021/ic100277w 2010
MCF-739— 10.1016/j.jinorgbio.2018.01.01... 2018
A37547— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa86— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B1.1e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
A5491.3e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
A5494.2e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B4.9e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa1.4e+03— 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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