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Complex #3971 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID3971
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation3
SMILESCc1ccc(-n2cc(-c3ccccn3)nn2)cc1.[Cl-].c1ccccc1

TUCAN

C20H18N4Ru/(1-19)(2-34)(3-20)(4-21)(5-22)(6-31)(7-28)(8-23)(9-24)(10-25)(11-26)(12-27)(13-29)(14-35)(15-30)(16-19)(17-19)(18-32)(19-33)(20-21)(20-22)(21-23)(22-24)(23-25)(24-25)(26-28)(26-33)(27-31)(27-34)(28-38)(29-31)(29-36)(30-32)(30-33)(32-38)(34-41)(35-37)(35-39)(36-37)(36-41)(37-42)(38-39)(39-40)(40-42)(41-43)(42-43)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27807.3— 10.1021/acs.inorgchem.1c00527 2021
HCT-116—— 10.1021/acs.inorgchem.1c00527 2021
HCT-116/Dox—— 10.1021/acs.inorgchem.1c00527 2021

🧬 Cell Death Types (2)

Apoptosis high
«compounds 1 and 3 induced apoptosis in approximately 17% and 37% of A2780 cells.»
Autophagy high
«compound 1 can induce autophagic death in 80% of A2780 cells»

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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