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Complex #59 — Ru(3) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID59
MetalRu
Oxidation state3
Charge0
Donor atoms{"S": 1, "O": 1, "N": 3}
Abbreviation2
SMILESCS(C)=O.Nc1ccccc1-c1nc2ccccc2[nH]1.[Cl-].[Cl-].[Cl-]

TUCAN

C15H17N3ORuS/(1-24)(2-25)(3-23)(4-31)(5-31)(6-22)(7-18)(8-20)(9-19)(10-21)(11-31)(12-32)(13-32)(14-32)(15-34)(16-33)(17-33)(18-19)(18-25)(19-27)(20-21)(20-23)(21-22)(22-29)(23-28)(24-25)(24-26)(26-27)(26-30)(27-33)(28-29)(28-34)(29-35)(30-34)(30-35)(31-37)(32-37)(35-38)(36-37)(37-38)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-72.3e+02 10.3390/molecules25184284 2020
Caco-22.5e+02 10.3390/molecules25184284 2020
THLE-22.5e+03 10.3390/molecules25184284 2020

🧬 Cell Death Types (1)

Apoptosis high
«An apoptosis mechanism was determined by the observation of increased Bax and caspase 3 and decreased Bcl2 expression.»

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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