home← all complexes Ir builderC^N familiesD-MPNN

Complex #1905 — Ru(2) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID1905
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation9
SMILESCc1ccc(C(C)C)cc1.[Cl-].[Cl-].c1ccc2[nH]ncc2c1

TUCAN

C17Cl2N2Ru/(1-12)(2-13)(3-12)(4-5)(4-15)(5-10)(6-7)(6-13)(7-14)(8-11)(8-13)(9-10)(9-17)(11-14)(12-14)(15-16)(15-17)(16-18)(17-19)(18-19)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW62014— 10.1002/chem.201403974 2015
COLO-20523— 10.1002/chem.201403974 2015
HCT-11633— 10.1002/chem.201403974 2015

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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