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Complex #2486 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID2486
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation3
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)c1nc3c4cccc5ccc6cccc(c3nc1c1cccnc12)c6c54

TUCAN

C48H30N8Ru/(1-34)(2-39)(3-65)(4-35)(5-45)(6-32)(7-36)(8-63)(9-40)(10-48)(11-41)(12-50)(13-49)(14-44)(15-42)(16-33)(17-38)(18-31)(19-64)(20-37)(21-52)(22-66)(23-67)(24-51)(25-46)(26-47)(27-68)(28-53)(29-54)(30-43)(31-37)(31-55)(32-33)(32-57)(33-64)(34-40)(34-70)(35-44)(35-71)(36-40)(36-63)(37-38)(38-58)(39-48)(39-61)(41-44)(41-66)(42-51)(42-74)(43-53)(43-78)(45-49)(45-60)(46-47)(46-62)(47-55)(48-65)(49-50)(50-62)(51-52)(52-67)(53-54)(54-68)(55-56)(56-58)(56-59)(57-73)(57-77)(58-69)(59-60)(59-62)(60-75)(61-72)(61-76)(63-82)(64-80)(65-83)(66-84)(67-85)(68-86)(69-75)(69-81)(70-71)(70-82)(71-84)(72-73)(72-81)(73-79)(74-78)(74-85)(75-79)(76-77)(76-83)(77-80)(78-86)(81-87)(82-87)(83-87)(84-87)(85-87)(86-87)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG23e+02— 10.1021/ic900902f 2009
HeLa3.1e+02— 10.1021/ic900902f 2009
MCF-76e+02— 10.1021/ic900902f 2009
BEL-74021.5e+03— 10.1021/ic900902f 2009

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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