home← all complexes Ir builderC^N familiesD-MPNN

Complex #1395 — Ru(2) [2a]

2D Structure

Structure
⬇ MOL V3000

Info

ID1395
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 1, "N": 1}
Abbreviation2a
SMILESCc1ccc(C(C)C)cc1.[Cl-].[O-]c1c(Cl)cc(Cl)c2cccnc12

TUCAN

C19Cl3NORu/(1-12)(2-11)(3-11)(4-5)(4-12)(5-13)(6-10)(6-12)(7-8)(7-15)(8-14)(9-18)(9-19)(10-13)(11-13)(14-16)(14-18)(15-20)(16-17)(16-20)(17-19)(17-21)(18-23)(19-24)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H4604— 10.1021/acs.organomet.5b00868 2015
HCT-1165— 10.1021/acs.organomet.5b00868 2015
SiHa7.6— 10.1021/acs.organomet.5b00868 2015
MG-6315— 10.1016/j.jinorgbio.2018.05.00... 2018
A54962— 10.1016/j.jinorgbio.2018.05.00... 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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