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Complex #2678 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2678
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESC1=CC2CC1CC2c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H32N8Ru/(1-37)(2-33)(3-34)(4-40)(5-58)(6-45)(7-36)(8-59)(9-35)(10-38)(11-60)(12-39)(13-47)(14-50)(15-51)(16-49)(17-51)(18-61)(19-42)(20-48)(21-44)(22-52)(23-56)(24-41)(25-55)(26-62)(27-43)(28-46)(29-63)(30-57)(31-52)(32-74)(33-40)(33-64)(34-45)(34-65)(35-40)(35-58)(36-37)(36-60)(37-53)(38-45)(38-59)(39-47)(39-62)(41-42)(41-54)(42-61)(43-47)(43-67)(44-48)(44-63)(46-48)(46-68)(49-50)(49-57)(50-56)(51-55)(51-56)(52-56)(52-57)(53-66)(53-69)(54-70)(54-71)(55-57)(55-72)(58-75)(59-76)(60-73)(61-80)(62-77)(63-79)(64-68)(64-75)(65-67)(65-76)(66-71)(66-74)(67-77)(68-79)(69-70)(69-73)(70-80)(71-78)(72-74)(72-78)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740246 10.1007/s11243-018-0264-y 2018
SGC-790192 10.1007/s11243-018-0264-y 2018
PC-12 10.1007/s11243-018-0264-y 2018
SiHa 10.1007/s11243-018-0264-y 2018
HepG2 10.1007/s11243-018-0264-y 2018
A549 10.1007/s11243-018-0264-y 2018
HeLa 10.1007/s11243-018-0264-y 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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