home← all complexes Ir builderC^N familiesD-MPNN

Complex #981 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID981
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1}
Abbreviation4
SMILESCOc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C31ClO4Ru/(1-23)(2-24)(3-24)(4-8)(4-21)(5-9)(5-28)(6-15)(6-28)(7-13)(7-29)(8-23)(9-22)(10-14)(10-30)(11-20)(11-21)(12-17)(12-31)(13-22)(14-25)(15-22)(16-18)(16-31)(17-25)(18-25)(19-29)(19-30)(20-23)(21-24)(26-34)(27-35)(28-34)(29-32)(30-33)(31-35)

Measurements (10)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-11616— 10.1016/j.jinorgbio.2016.06.00... 2016
A278021— 10.1016/j.jinorgbio.2016.06.00... 2016
U-87 MG21— 10.1016/j.jinorgbio.2016.06.00... 2016
MCF-725— 10.1016/j.jinorgbio.2016.06.00... 2016
HCT-116297 10.3390/molecules28227537 2023
A54931— 10.1016/j.jinorgbio.2016.06.00... 2016
HeLa41— 10.1002/aoc.3685 2016
HEK293T48— 10.1002/aoc.3685 2016
HepG253— 10.1002/aoc.3685 2016
HT-295711 10.3390/molecules28227537 2023

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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