home← all complexes Ir builderC^N familiesD-MPNN

Complex #1977 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1977
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2}
Abbreviation3
SMILESCc1ccc(C(C)C)cc1.O=c1[nH]c2cnccc2c2ccccc12.[Cl-].[Cl-]

TUCAN

C22Cl2N2ORu/(1-13)(2-14)(3-13)(4-6)(4-18)(5-7)(5-16)(6-7)(8-17)(8-20)(9-10)(9-15)(10-14)(11-12)(11-15)(12-14)(13-15)(16-17)(16-18)(17-21)(18-22)(19-21)(19-24)(20-24)(21-23)(22-23)(22-25)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278039— 10.1016/j.jinorgbio.2013.10.01... 2014
HCT-11646— 10.1016/j.jinorgbio.2013.10.01... 2014
A54985— 10.1016/j.jinorgbio.2013.10.01... 2014
HCC193793— 10.1016/j.jinorgbio.2013.10.01... 2014
MRC-51.4e+02— 10.1016/j.jinorgbio.2013.10.01... 2014

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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