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Complex #2549 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2549
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 2, "N": 2, "As": 2}
Abbreviation2
SMILESO=C([O-])c1ccc(-c2ccc(C(=O)O)cn2)nc1.[C-]#[O+].[H-].c1ccc([As](c2ccccc2)c2ccccc2)cc1.c1ccc([As](c2ccccc2)c2ccccc2)cc1

TUCAN

C49H37As2N2O5Ru/(1-40)(2-41)(3-42)(4-43)(5-38)(6-46)(7-45)(8-39)(9-44)(10-47)(11-58)(12-71)(13-70)(14-56)(15-48)(16-53)(17-52)(18-49)(19-50)(20-51)(21-55)(22-57)(23-54)(24-59)(25-61)(26-65)(27-66)(28-67)(29-60)(30-64)(31-69)(32-62)(33-68)(34-63)(35-74)(36-75)(37-93)(38-41)(38-81)(39-42)(39-81)(40-41)(40-42)(43-44)(43-46)(44-82)(45-46)(45-48)(47-52)(47-53)(48-82)(49-52)(49-57)(50-55)(50-59)(51-55)(51-61)(53-83)(54-64)(54-65)(56-58)(56-77)(57-83)(58-72)(59-84)(60-64)(60-66)(61-84)(62-67)(62-69)(63-68)(63-69)(65-85)(66-85)(67-86)(68-86)(70-71)(70-73)(71-76)(72-74)(72-80)(73-75)(73-79)(74-88)(75-87)(76-77)(76-87)(77-88)(78-92)(79-89)(79-93)(80-90)(80-91)(81-94)(82-94)(83-94)(84-95)(85-95)(86-95)(87-96)(88-96)(93-96)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa25— 10.1016/j.ica.2013.04.029 2013
HepG234— 10.1016/j.ica.2013.04.029 2013
SK-OV-395— 10.1016/j.ica.2013.04.029 2013
SKMel21.8e+02— 10.1016/j.ica.2013.04.029 2013
HCT-151.8e+02— 10.1016/j.ica.2013.04.029 2013
HEp-23e+02— 10.1016/j.ica.2013.04.029 2013
NIH-3T3—— 10.1016/j.ica.2013.04.029 2013

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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