home← all complexes Ir builderC^N familiesD-MPNN

Complex #4307 — Ru(3) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4307
MetalRu
Oxidation state3
Charge0
Donor atoms{"S": 1, "O": 1, "N": 5}
Abbreviation2
SMILESCS(C)=O.Clc1cccc(CNc2nc[nH+]c3nc[nH]c23)c1.[Cl-].[Cl-].[Cl-].[Cl-]

TUCAN

C14H17ClN5ORuS/(1-18)(2-19)(3-25)(4-29)(5-29)(6-20)(7-21)(8-23)(9-26)(10-23)(11-29)(12-30)(13-30)(14-30)(15-34)(16-32)(17-33)(18-19)(18-21)(19-31)(20-22)(20-31)(21-22)(22-23)(23-32)(24-27)(24-28)(24-34)(25-34)(25-36)(26-33)(26-35)(27-32)(27-35)(28-33)(28-36)(29-38)(30-38)(31-39)(35-40)(36-40)(37-38)(38-40)

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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