home← all complexes Ir builderC^N familiesD-MPNN

Complex #4151 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID4151
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3, "P": 1, "O": 1}
Abbreviation3
SMILESC1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=C1C=C([O-])C(=O)c2ccccc21

TUCAN

C26N3O3PRu/(1-16)(2-16)(3-15)(4-8)(4-17)(5-22)(5-23)(6-12)(6-13)(7-10)(7-17)(8-15)(9-11)(9-14)(10-15)(11-12)(13-14)(13-23)(14-21)(16-17)(18-27)(18-28)(19-27)(19-29)(20-28)(20-29)(21-22)(21-30)(22-31)(23-32)(24-27)(24-33)(25-28)(25-33)(26-29)(26-33)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27803— 10.1016/j.jorganchem.2016.09.0... 2016
MCF-76.5— 10.1016/j.jorganchem.2016.09.0... 2016
LoVo7.2— 10.1016/j.jorganchem.2016.09.0... 2016
HepG27.2— 10.1016/j.jorganchem.2016.09.0... 2016
HCT-810— 10.1016/j.jorganchem.2016.09.0... 2016
A37518— 10.1016/j.jorganchem.2016.09.0... 2016
HEK29373— 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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