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Complex #934 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID934
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4, "S": 2, "P": 2}
Abbreviation2
SMILESCn1ccnc1[S-].Cn1ccnc1[S-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C36H38N4P2RuS2/(1-59)(2-39)(3-67)(4-42)(5-41)(6-40)(7-44)(8-59)(9-45)(10-60)(11-67)(12-47)(13-43)(14-46)(15-68)(16-51)(17-48)(18-50)(19-60)(20-68)(21-52)(22-53)(23-49)(24-55)(25-54)(26-57)(27-56)(28-58)(29-63)(30-61)(31-64)(32-65)(33-61)(34-61)(35-62)(36-62)(37-62)(38-66)(39-40)(39-69)(40-41)(41-44)(42-44)(42-69)(43-47)(43-51)(45-47)(45-70)(46-51)(46-70)(48-52)(48-71)(49-53)(49-71)(50-52)(50-53)(54-55)(54-72)(55-56)(56-57)(57-58)(58-72)(59-60)(59-67)(60-68)(61-75)(62-76)(63-65)(63-77)(64-66)(64-78)(65-75)(66-76)(67-79)(68-80)(69-79)(70-79)(71-80)(72-80)(73-75)(73-77)(73-81)(74-76)(74-78)(74-82)(77-83)(78-83)(79-83)(80-83)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG22.5 10.21577/0103-5053.20190214 2020
DU-1453.3 10.21577/0103-5053.20190214 2020
MDA-MB-2318.7 10.21577/0103-5053.20190214 2020
A5498.8 10.21577/0103-5053.20190214 2020
MCF-712 10.21577/0103-5053.20190214 2020
MRC-525 10.21577/0103-5053.20190214 2020

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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