home← all complexes Ir builderC^N familiesD-MPNN

Complex #4149 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID4149
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3, "P": 1, "O": 1}
Abbreviation1
SMILESC1N2CN3CN1CP(C2)C3.CC(C)=CCC1=C([O-])C(=O)c2ccccc2C1=O.Cc1ccc(C(C)C)cc1

TUCAN

C31N3O3PRu/(1-17)(2-21)(3-21)(4-20)(5-20)(6-11)(6-17)(7-8)(7-15)(8-10)(9-12)(9-17)(10-18)(11-16)(12-16)(13-14)(13-22)(14-20)(15-19)(16-21)(18-19)(18-27)(19-26)(22-26)(22-28)(23-32)(23-33)(24-32)(24-34)(25-33)(25-34)(26-35)(27-28)(27-36)(28-37)(29-32)(29-38)(30-33)(30-38)(31-34)(31-38)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27802.3— 10.1016/j.jorganchem.2016.09.0... 2016
A3753.5— 10.1016/j.jorganchem.2016.09.0... 2016
MCF-74.9— 10.1016/j.jorganchem.2016.09.0... 2016
HepG25.1— 10.1016/j.jorganchem.2016.09.0... 2016
LoVo5.2— 10.1016/j.jorganchem.2016.09.0... 2016
HCT-89.3— 10.1016/j.jorganchem.2016.09.0... 2016
HEK29359— 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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