home← all complexes Ir builderC^N familiesD-MPNN

Complex #979 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID979
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1}
Abbreviation2
SMILESCOc1ccc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(OC)c(OC)c2)cc1OC.[Cl-].c1ccccc1

TUCAN

C29ClO6Ru/(1-2)(1-10)(2-11)(3-18)(3-27)(4-7)(4-26)(5-8)(5-18)(6-24)(6-25)(7-18)(8-24)(9-19)(9-28)(10-14)(11-15)(12-13)(12-25)(13-19)(14-15)(16-17)(16-19)(17-29)(20-33)(21-34)(22-32)(23-35)(24-30)(25-31)(26-27)(26-32)(27-33)(28-29)(28-34)(29-35)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-712— 10.1016/j.jinorgbio.2016.06.00... 2016
HCT-11619— 10.1016/j.jinorgbio.2016.06.00... 2016
A54921— 10.1016/j.jinorgbio.2016.06.00... 2016
U-87 MG21— 10.1016/j.jinorgbio.2016.06.00... 2016
A278028— 10.1016/j.jinorgbio.2016.06.00... 2016
HCT-1163216 10.3390/molecules28227537 2023
HT-29453.6 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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