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Complex #3192 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3192
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1csc(-c2ccc(-c3cc4cccnc4c4ncccc34)s2)c1

TUCAN

C40H28N6RuS2/(1-53)(2-34)(3-32)(4-56)(5-33)(6-30)(7-36)(8-37)(9-41)(10-40)(11-47)(12-46)(13-43)(14-29)(15-38)(16-39)(17-65)(18-49)(19-35)(20-55)(21-54)(22-31)(23-48)(24-42)(25-44)(26-57)(27-45)(28-58)(29-31)(29-50)(30-33)(30-60)(31-54)(32-40)(32-56)(33-34)(34-53)(35-36)(35-55)(36-37)(37-61)(38-39)(38-66)(39-68)(40-52)(41-51)(41-52)(42-43)(42-67)(43-65)(44-46)(44-57)(45-48)(45-58)(46-47)(47-62)(48-49)(49-64)(50-51)(50-63)(51-68)(52-59)(53-69)(54-74)(55-71)(56-70)(57-72)(58-73)(59-63)(59-70)(60-61)(60-69)(61-71)(62-64)(62-72)(63-74)(64-73)(65-75)(66-67)(66-76)(67-75)(68-76)(69-77)(70-77)(71-77)(72-77)(73-77)(74-77)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SK-MEL-28320.21 10.1111/php.13012 2018
SK-MEL-283214 10.1111/php.13012 2018
CCD1064Sk2.5e+02— 10.1111/php.13012 2018
HL602.6e+020.31 10.1111/php.13012 2018
HL602.6e+0214 10.1111/php.13012 2018

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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