home← all complexes Ir builderC^N familiesD-MPNN

Complex #4150 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4150
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3, "P": 1, "O": 1}
Abbreviation2
SMILESC1N2CN3CN1CP(C2)C3.CC1=CC(=O)c2c([O-])cccc2C1=O.Cc1ccc(C(C)C)cc1

TUCAN

C27N3O3PRu/(1-14)(2-18)(3-16)(4-16)(5-9)(5-14)(6-7)(6-11)(7-22)(8-10)(8-14)(9-13)(10-13)(11-15)(12-18)(12-24)(13-16)(15-17)(15-23)(17-22)(17-24)(18-23)(19-28)(19-29)(20-28)(20-30)(21-29)(21-30)(22-31)(23-32)(24-33)(25-28)(25-34)(26-29)(26-34)(27-30)(27-34)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27802.8— 10.1016/j.jorganchem.2016.09.0... 2016
A3755.1— 10.1016/j.jorganchem.2016.09.0... 2016
MCF-75.8— 10.1016/j.jorganchem.2016.09.0... 2016
HepG26.1— 10.1016/j.jorganchem.2016.09.0... 2016
LoVo6.6— 10.1016/j.jorganchem.2016.09.0... 2016
HCT-89.8— 10.1016/j.jorganchem.2016.09.0... 2016
HEK29368— 10.1016/j.jorganchem.2016.09.0... 2016

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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