home← all complexes Ir builderC^N familiesD-MPNN

Complex #1923 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1923
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
Abbreviation3
SMILESCc1ccc(C(C)C)cc1.Cc1ncc(CO)c(/C=N\NC2=Nc3ccccc3-c3[nH]c4ccc(Br)cc4c3C2)c1O.[Cl-]

TUCAN

C34H34BrN5O2Ru/(1-38)(2-58)(3-36)(4-36)(5-43)(6-59)(7-48)(8-38)(9-46)(10-50)(11-38)(12-60)(13-39)(14-47)(15-40)(16-66)(17-66)(18-41)(19-45)(20-50)(21-35)(22-35)(23-36)(24-42)(25-35)(26-37)(27-37)(28-37)(29-44)(30-49)(31-71)(32-70)(33-75)(34-74)(35-53)(36-58)(37-58)(38-62)(39-51)(39-68)(40-41)(40-52)(41-45)(42-43)(42-53)(43-54)(44-49)(44-54)(45-46)(46-63)(47-48)(47-64)(48-68)(49-53)(50-55)(50-65)(51-55)(51-64)(52-61)(52-63)(54-58)(55-61)(56-57)(56-60)(56-66)(57-59)(57-67)(59-73)(60-72)(61-70)(62-67)(62-72)(63-69)(64-70)(65-69)(65-71)(66-75)(67-74)(68-76)(71-73)(72-77)(73-77)(74-77)(75-77)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CH-10.58— 10.1021/om700813c 2007
SW4801— 10.1021/om700813c 2007
CH-11.5— 10.1016/j.jinorgbio.2012.06.00... 2012
SW4801.8— 10.1016/j.jinorgbio.2012.06.00... 2012
NCI-N872.5— 10.1016/j.jinorgbio.2012.06.00... 2012
A5492.5— 10.1021/om700813c 2007
LNCaP5.2— 10.1016/j.jinorgbio.2012.06.00... 2012
T47D5.8— 10.1016/j.jinorgbio.2012.06.00... 2012
A5496— 10.1016/j.jinorgbio.2012.06.00... 2012

🧬 Cell Death Types (1)

Apoptosis high
«Complex 1 shows the strongest impact on cell viability, only 15% cells remain viable, whereas cells in early and late apoptosis amount to 72% in total.»

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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