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Complex #1214 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1214
MetalRu
Oxidation state2
Charge-1
Donor atoms{"O": 1, "N": 1}
Abbreviation1
SMILESCc1c(CC(=O)[O-])c2ccccc2n1C(=O)c1ccc(Cl)cc1.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-]

TUCAN

C28Cl3NO3Ru/(1-21)(2-21)(3-20)(4-25)(5-9)(5-22)(6-11)(6-20)(7-12)(7-13)(8-18)(8-27)(9-28)(10-12)(10-24)(11-19)(13-23)(14-15)(14-28)(15-22)(16-17)(16-20)(17-19)(18-23)(18-25)(19-21)(22-26)(23-24)(24-29)(25-29)(26-29)(26-30)(27-31)(27-32)(28-35)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
K-56212— 10.1039/c7nj04416j 2018
MDA-MB-23122— 10.1039/c7nj04416j 2018
MRC-540— 10.1039/c7nj04416j 2018
A54946— 10.1039/c7nj04416j 2018

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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