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Complex #4539 — Ru(2) [[3c]BF4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4539
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 1}
Abbreviation[3c]BF4
SMILESCc1c(C)c(C)[c-](COC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1C.c1ccc2ccccc2c1

TUCAN

C28NO4Ru/(1-17)(2-26)(3-26)(4-18)(5-23)(6-22)(7-26)(8-24)(9-10)(9-19)(10-13)(11-15)(11-19)(12-13)(12-20)(14-16)(14-20)(15-16)(17-18)(17-23)(18-21)(19-20)(21-22)(21-25)(22-23)(24-27)(24-29)(25-32)(26-33)(27-30)(27-32)(28-29)(28-31)(28-33)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54924— 10.1016/j.ica.2013.10.002 2014
ML25— 10.1016/j.ica.2013.10.002 2014
SK-OV-334— 10.1016/j.ica.2013.10.002 2014
SK-BR-370— 10.1016/j.ica.2013.10.002 2014
MeWo72— 10.1016/j.ica.2013.10.002 2014
B1696— 10.1016/j.ica.2013.10.002 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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