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Complex #705 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID705
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 2, "N": 4}
Abbreviation1
SMILESO=C([O-])C(=O)[O-].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C26H16N4O4Ru/(1-33)(2-19)(3-20)(4-17)(5-34)(6-18)(7-27)(8-21)(9-22)(10-23)(11-24)(12-35)(13-36)(14-25)(15-28)(16-26)(17-18)(17-29)(18-30)(19-20)(19-33)(20-29)(21-25)(21-30)(22-23)(22-34)(23-31)(24-26)(24-32)(25-35)(26-36)(27-28)(27-31)(28-32)(29-37)(30-38)(31-39)(32-40)(33-43)(34-44)(35-45)(36-46)(37-38)(37-43)(38-45)(39-40)(39-44)(40-46)(41-42)(41-47)(41-48)(42-49)(42-50)(43-51)(44-51)(45-51)(46-51)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG229 10.1039/d3dt04058e 2024
HepG27152 10.1039/d3dt04058e 2024
CT-26 10.1002/cbic.202200398 2022
PC-3 10.1002/cbic.202200398 2022
RPE-1 10.1002/cbic.202200398 2022

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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