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Complex #4540 — Ru(2) [[3d]BF4]

2D Structure

Structure
⬇ MOL V3000

Info

ID4540
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 1}
Abbreviation[3d]BF4
SMILESCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC[c-]1c(C)c(C)c(C)c1C.c1ccc2ccccc2c1

TUCAN

C30NO4RuS/(1-20)(2-18)(3-21)(4-22)(5-26)(6-26)(7-26)(8-9)(8-17)(9-11)(10-12)(10-17)(11-13)(12-16)(13-19)(14-24)(14-30)(15-16)(15-19)(17-19)(18-20)(18-21)(20-23)(21-22)(22-23)(23-25)(24-27)(24-31)(25-35)(26-34)(27-32)(27-35)(28-31)(28-33)(28-34)(29-36)(30-36)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SK-BR-321— 10.1016/j.ica.2013.10.002 2014
MeWo29— 10.1016/j.ica.2013.10.002 2014
SK-OV-333— 10.1016/j.ica.2013.10.002 2014
A54936— 10.1016/j.ica.2013.10.002 2014
B1641— 10.1016/j.ica.2013.10.002 2014
ML49— 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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