home← all complexes Ir builderC^N familiesD-MPNN

Complex #2299 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2299
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESOc1c(Br)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1Br.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C39H26Br2N8ORu/(1-28)(2-48)(3-27)(4-51)(5-30)(6-29)(7-32)(8-35)(9-53)(10-49)(11-50)(12-33)(13-41)(14-34)(15-38)(16-31)(17-39)(18-43)(19-36)(20-52)(21-44)(22-37)(23-42)(24-40)(25-67)(26-74)(27-28)(27-29)(28-48)(29-54)(30-38)(30-42)(31-32)(31-39)(32-49)(33-41)(33-53)(34-45)(34-64)(35-44)(35-51)(36-45)(36-65)(37-40)(37-50)(38-55)(39-56)(40-43)(41-46)(42-52)(43-60)(44-47)(45-62)(46-58)(46-61)(47-57)(47-59)(48-68)(49-69)(50-70)(51-66)(52-71)(53-72)(54-55)(54-68)(55-71)(56-60)(56-69)(57-58)(57-66)(58-72)(59-61)(59-67)(60-70)(61-73)(62-67)(62-73)(63-64)(63-65)(63-74)(64-75)(65-76)(68-77)(69-77)(70-77)(71-77)(72-77)(73-77)(74-77)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740241— 10.1016/j.ejmech.2010.03.042 2010
BEL-740256— 10.1016/j.ejmech.2010.03.042 2010
C6—— 10.1016/j.ejmech.2010.03.042 2010
HepG2—— 10.1016/j.ejmech.2010.03.042 2010
MCF-7—— 10.1016/j.ejmech.2010.03.042 2010

🧬 Cell Death Types (1)

Apoptosis high
«Cytotoxicity evaluation in vitro shows that the ligand and its complex 2 all displayed antitumor activity against the selected tumor cell lines and complexes 1 and 2 can induce the apoptosis of BEL-74...»

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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