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Complex #40 — Ru(2) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID40
MetalRu
Oxidation state2
Charge2
Donor atoms{"O": 1, "N": 5}
Abbreviation2a
SMILESO=[N+]([O-])c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C39H27N9O2Ru/(1-51)(2-52)(3-30)(4-32)(5-41)(6-53)(7-28)(8-55)(9-31)(10-33)(11-56)(12-35)(13-34)(14-54)(15-42)(16-39)(17-29)(18-37)(19-44)(20-40)(21-43)(22-36)(23-38)(24-45)(25-47)(26-46)(27-68)(28-29)(28-30)(29-57)(30-51)(31-32)(31-37)(32-52)(33-34)(33-48)(34-61)(35-41)(35-50)(36-43)(36-61)(37-58)(38-39)(38-60)(39-44)(40-42)(40-49)(41-56)(42-54)(43-48)(44-53)(45-47)(45-55)(46-47)(46-62)(48-66)(49-59)(49-64)(50-63)(50-65)(51-70)(52-71)(53-72)(54-74)(55-75)(56-67)(57-58)(57-70)(58-71)(59-63)(59-74)(60-62)(60-72)(61-69)(62-75)(63-67)(64-65)(64-73)(65-68)(66-68)(66-73)(69-76)(69-77)(70-78)(71-78)(72-78)(73-78)(74-78)(75-78)

Measurements (12)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG210— 10.1021/ic100277w 2010
A37515— 10.1021/ic100277w 2010
BEAS-2B21— 10.1016/j.jinorgbio.2018.01.01... 2018
A37526— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa39— 10.1016/j.jinorgbio.2018.01.01... 2018
A37540— 10.1016/j.jinorgbio.2018.01.01... 2018
MCF-786— 10.1016/j.jinorgbio.2018.01.01... 2018
BEAS-2B1e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
A5492.2e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
HeLa3.2e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
A5493.5e+02— 10.1016/j.jinorgbio.2018.01.01... 2018
SW620—— 10.1021/ic100277w 2010

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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