home← all complexes Ir builderC^N familiesD-MPNN

Complex #3359 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3359
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESFC(F)(F)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H27F3N8Ru/(1-52)(2-53)(3-28)(4-31)(5-33)(6-47)(7-29)(8-55)(9-54)(10-30)(11-57)(12-40)(13-32)(14-56)(15-34)(16-39)(17-46)(18-41)(19-43)(20-38)(21-37)(22-36)(23-35)(24-42)(25-45)(26-44)(27-69)(28-29)(28-52)(29-30)(30-58)(31-41)(31-53)(32-33)(32-49)(33-48)(34-47)(34-55)(35-36)(35-49)(36-48)(37-40)(37-54)(38-40)(38-60)(39-46)(39-56)(41-42)(42-61)(43-44)(43-45)(44-62)(45-57)(46-50)(47-51)(48-66)(49-67)(50-59)(50-65)(51-63)(51-64)(52-70)(53-71)(54-72)(55-68)(56-75)(57-73)(58-60)(58-70)(59-63)(59-74)(60-72)(61-62)(61-71)(62-73)(63-69)(64-65)(64-68)(65-75)(66-69)(66-74)(67-76)(67-77)(67-78)(70-79)(71-79)(72-79)(73-79)(74-79)(75-79)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MG-6343 10.1002/cmdc.201300379 2014
MDA-MB-23189 10.1016/j.ejmech.2014.04.070 2014
A5491.4e+02 10.1002/cmdc.201300379 2014
MCF-7 10.1016/j.ejmech.2014.04.070 2014
EC-1 10.1016/j.ejmech.2014.04.070 2014
HaCaT 10.1016/j.ejmech.2014.04.070 2014
MCF-7 10.1002/cmdc.201300379 2014
HK-2 10.1002/cmdc.201300379 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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