home← all complexes Ir builderC^N familiesD-MPNN

Complex #4308 — Ru(3) [7]

2D Structure

Structure
⬇ MOL V3000

Info

ID4308
MetalRu
Oxidation state3
Charge0
Donor atoms{"N": 5, "S": 1, "O": 1}
Abbreviation7
SMILESCOc1ccccc1CNc1nc[nH+]c2nc[nH]c12.CS(C)=O.[Cl-].[Cl-].[Cl-].[Cl-]

TUCAN

C15H20N5O2RuS/(1-28)(2-34)(3-23)(4-32)(5-32)(6-21)(7-22)(8-24)(9-29)(10-34)(11-34)(12-35)(13-26)(14-26)(15-32)(16-35)(17-35)(18-37)(19-36)(20-38)(21-23)(21-33)(22-23)(22-24)(24-25)(25-26)(25-33)(26-36)(27-30)(27-31)(27-37)(28-37)(28-39)(29-38)(29-40)(30-36)(30-40)(31-38)(31-39)(32-42)(33-42)(34-43)(35-43)(39-44)(40-44)(41-43)(42-44)(43-44)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
G361—— 10.1016/j.jinorgbio.2011.04.00... 2011
K-562—— 10.1016/j.jinorgbio.2011.04.00... 2011
HOS—— 10.1016/j.jinorgbio.2011.04.00... 2011
MCF-7—— 10.1016/j.jinorgbio.2011.04.00... 2011

🧬 Cell Death Types (1)

Apoptosis high
«the prepared Ru(III) complexes possess higher pro-apoptotic activity than NAMI-A»

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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