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Complex #1501 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1501
MetalRu
Oxidation state2
Charge2
Donor atoms{"O": 1, "N": 5}
Abbreviation2
SMILESO=[N+]([O-])c1cc2c(cc1-c1nc3c4cccnc4c4ncccc4c3[nH]1)OCO2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C44H27N9O4Ru/(1-53)(2-31)(3-34)(4-28)(5-40)(6-54)(7-29)(8-44)(9-30)(10-35)(11-32)(12-41)(13-33)(14-58)(15-38)(16-45)(17-55)(18-42)(19-56)(20-71)(21-57)(22-36)(23-37)(24-39)(25-71)(26-43)(27-73)(28-29)(28-46)(29-47)(30-31)(30-46)(31-53)(32-43)(32-47)(33-34)(33-48)(34-54)(35-41)(35-48)(36-42)(36-56)(37-39)(37-55)(38-49)(38-69)(39-52)(40-44)(40-51)(41-50)(42-50)(43-57)(44-58)(45-65)(45-70)(46-59)(47-60)(48-64)(49-65)(49-68)(50-66)(51-62)(51-63)(52-61)(52-67)(53-75)(54-76)(55-78)(56-77)(57-80)(58-72)(59-60)(59-75)(60-80)(61-62)(61-78)(62-72)(63-67)(63-73)(64-66)(64-76)(65-74)(66-77)(67-79)(68-73)(68-79)(69-70)(69-81)(70-82)(71-81)(71-82)(74-83)(74-84)(75-85)(76-85)(77-85)(78-85)(79-85)(80-85)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa22— 10.1016/j.saa.2016.02.036 2016
BEL-740239— 10.1016/j.saa.2016.02.036 2016
A54974— 10.1016/j.saa.2016.02.036 2016
PC-12—— 10.1016/j.saa.2016.02.036 2016
SGC-7901—— 10.1016/j.saa.2016.02.036 2016
SiHa—— 10.1016/j.saa.2016.02.036 2016

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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