home← all complexes Ir builderC^N familiesD-MPNN

Complex #876 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID876
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2}
Abbreviation2
SMILESCc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccccn2)nc1

TUCAN

C20H22N2Ru/(1-30)(2-27)(3-26)(4-29)(5-23)(6-31)(7-24)(8-35)(9-23)(10-34)(11-33)(12-28)(13-39)(14-40)(15-32)(16-24)(17-23)(18-24)(19-25)(20-38)(21-25)(22-25)(23-36)(24-38)(25-38)(26-27)(26-28)(27-39)(28-41)(29-30)(29-36)(30-37)(31-35)(31-37)(32-33)(32-42)(33-34)(34-40)(35-36)(37-38)(39-43)(40-44)(41-42)(41-43)(42-44)(43-45)(44-45)

Measurements (19)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa10 10.1016/j.jinorgbio.2020.11109... 2020
MCF-713 10.1016/j.jinorgbio.2020.11109... 2020
A278019 10.1039/d1dt00808k 2021
HEK2931.8e+02 10.1016/j.jinorgbio.2020.11109... 2020
A549 10.1039/d2nj06075b 2023
MCF-7 10.1039/d2nj06075b 2023
HeLa 10.1039/d2nj06075b 2023
MRC-5 10.1039/d2nj06075b 2023
A549 10.1016/j.jinorgbio.2015.07.01... 2015
MDA-MB-231 10.1016/j.jinorgbio.2015.07.01... 2015
MCF-7 10.1016/j.jinorgbio.2015.07.01... 2015
L-929 10.1016/j.jinorgbio.2015.07.01... 2015
A549 10.3390/ijms23147624 2022
MES-SA 10.1039/d1dt00808k 2021
MES-SA/Dx5 10.1039/d1dt00808k 2021
A2780cisR 10.1039/d1dt00808k 2021
A549 10.1002/aoc.5171 2019
HeLa 10.1002/aoc.5171 2019
HepG2 10.1002/aoc.5171 2019

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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