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Complex #5433 — Ir(3) [4a]

2D Structure

Structure
⬇ MOL V3000

Info

ID5433
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 1, "O": 1}
Abbreviation4a
SMILESCc1c(C)c(C)[c-](C)c1C.O=Nc1c([O-])ccc2ccccc12.[Cl-]

TUCAN

C20ClIrNO2/(1-12)(2-13)(3-15)(4-16)(5-17)(6-11)(6-20)(7-10)(7-18)(8-9)(8-10)(9-14)(11-14)(12-13)(12-15)(13-16)(14-18)(15-17)(16-17)(18-19)(19-20)(19-21)(20-22)(21-23)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HUVEC1— 10.1007/s00775-009-0615-4 2009
HL601.8— 10.1007/s00775-009-0615-4 2009
HL602— 10.1007/s00775-009-0615-4 2009
HeLa2.2— 10.1007/s00775-009-0615-4 2009
HeLa3.7— 10.1007/s00775-009-0615-4 2009
HUVEC5— 10.1007/s00775-009-0615-4 2009

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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