home← all complexes Ir builderC^N familiesD-MPNN

Complex #1922 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1922
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation1
SMILESCc1ccc(C(C)C)cc1.Oc1ccccc1/C=N\NC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1.[Cl-]

TUCAN

C33H31BrN4ORu/(1-49)(2-40)(3-33)(4-57)(5-38)(6-50)(7-35)(8-46)(9-47)(10-45)(11-44)(12-37)(13-42)(14-43)(15-39)(16-58)(17-36)(18-50)(19-33)(20-32)(21-32)(22-33)(23-34)(24-32)(25-34)(26-34)(27-41)(28-48)(29-66)(30-65)(31-69)(32-54)(33-57)(34-57)(35-36)(35-37)(36-52)(37-43)(38-40)(38-54)(39-46)(39-63)(40-55)(41-48)(41-55)(42-44)(42-64)(43-59)(44-61)(45-51)(45-64)(46-49)(47-49)(47-56)(48-54)(50-53)(50-62)(51-53)(51-61)(52-59)(52-60)(53-60)(55-57)(56-58)(56-63)(58-68)(59-67)(60-65)(61-65)(62-66)(62-67)(63-69)(64-70)(66-68)(67-71)(68-71)(69-71)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
CH-10.53— 10.1021/om700813c 2007
SW4800.59— 10.1021/om700813c 2007
SW4800.64— 10.1016/j.jinorgbio.2012.06.00... 2012
CH-10.67— 10.1016/j.jinorgbio.2012.06.00... 2012
T47D0.8— 10.1016/j.jinorgbio.2012.06.00... 2012
NCI-N871.1— 10.1016/j.jinorgbio.2012.06.00... 2012
A5491.7— 10.1021/om700813c 2007
LNCaP2.3— 10.1016/j.jinorgbio.2012.06.00... 2012
A5493.1— 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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