home← all complexes Ir builderC^N familiesD-MPNN

Complex #4437 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4437
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3, "O": 1}
Abbreviation2
SMILESCCCCCCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C37ClFN3O4Ru/(1-22)(2-21)(3-21)(4-19)(5-6)(5-18)(6-7)(7-8)(8-9)(9-10)(10-35)(11-16)(11-24)(12-15)(12-32)(13-31)(13-33)(14-20)(14-24)(15-32)(16-22)(17-23)(17-37)(18-19)(20-22)(21-24)(23-31)(23-34)(25-27)(25-34)(25-36)(26-28)(26-39)(27-38)(28-40)(29-30)(29-39)(30-40)(31-38)(32-38)(33-37)(33-39)(34-42)(35-40)(35-44)(36-41)(36-43)(37-45)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5490.25— 10.1016/J.JINORGBIO.2016.02.01... 2016
A27801— 10.1016/J.JINORGBIO.2016.02.01... 2016
HCT-1161.3— 10.1016/J.JINORGBIO.2016.02.01... 2016
PC-31.5— 10.1016/J.JINORGBIO.2016.02.01... 2016
A2780cisR1.7— 10.1016/J.JINORGBIO.2016.02.01... 2016
HCT116Ox1.9— 10.1016/J.JINORGBIO.2016.02.01... 2016
HCT-116 p53-/-6.2— 10.1016/J.JINORGBIO.2016.02.01... 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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.