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Complex #4094 — Ru(2) [[Ru(bpy)2(4,4′-bbtb)]Cl2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4094
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation[Ru(bpy)2(4,4′-bbtb)]Cl2
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1

TUCAN

C44H30N8RuS2/(1-36)(2-41)(3-35)(4-47)(5-58)(6-37)(7-59)(8-43)(9-48)(10-60)(11-40)(12-34)(13-49)(14-42)(15-52)(16-33)(17-38)(18-46)(19-39)(20-32)(21-61)(22-51)(23-31)(24-45)(25-57)(26-44)(27-54)(28-62)(29-53)(30-50)(31-33)(31-46)(32-55)(32-57)(33-45)(34-35)(34-40)(35-72)(36-43)(36-64)(37-43)(37-58)(38-55)(38-66)(39-40)(39-67)(41-49)(41-65)(42-52)(42-69)(44-56)(44-68)(45-63)(46-71)(47-56)(47-61)(48-49)(48-59)(50-54)(50-70)(51-52)(51-60)(53-54)(53-62)(55-73)(56-74)(57-81)(58-77)(59-78)(60-79)(61-76)(62-82)(63-71)(63-75)(64-65)(64-77)(65-78)(66-68)(66-81)(67-72)(67-80)(68-76)(69-70)(69-79)(70-82)(71-84)(72-83)(73-75)(73-84)(74-80)(74-83)(77-85)(78-85)(79-85)(80-85)(81-85)(82-85)(83-85)(84-85)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-71— 10.1007/s00775-007-0232-z 2007
HT-293— 10.1007/s00775-007-0232-z 2007
MDA-MB-4685— 10.1007/s00775-007-0232-z 2007
RKO5— 10.1007/s00775-007-0232-z 2007

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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