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Complex #3831 — Ru(2) [RMC2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3831
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRMC2
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1cnc2c(c1)c1nc(-c3c[nH]cn3)[nH]c1c1cccnc12

TUCAN

C32H34N14Ru/(1-41)(2-49)(3-38)(4-47)(5-41)(6-41)(7-36)(8-37)(9-61)(10-46)(11-42)(12-42)(13-45)(14-62)(15-48)(16-42)(17-43)(18-43)(19-35)(20-50)(21-64)(22-43)(23-44)(24-63)(25-65)(26-51)(27-52)(28-53)(29-44)(30-54)(31-44)(32-55)(33-69)(34-70)(35-36)(35-45)(36-40)(37-38)(37-39)(38-51)(39-57)(39-59)(40-56)(40-58)(41-71)(42-72)(43-73)(44-74)(45-78)(46-47)(46-75)(47-71)(48-50)(48-72)(49-60)(49-70)(50-76)(51-68)(52-53)(52-73)(53-77)(54-55)(54-80)(55-74)(56-57)(56-79)(57-69)(58-59)(58-78)(59-68)(60-66)(60-67)(61-71)(61-75)(62-72)(62-76)(63-73)(63-77)(64-67)(64-70)(65-74)(65-80)(66-69)(66-79)(75-81)(76-81)(77-81)(78-81)(79-81)(80-81)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG221— 10.1016/j.biochi.2011.07.025 2012
A54923— 10.1016/j.biochi.2011.07.025 2012
A37527— 10.1016/j.biochi.2011.07.025 2012
MCF-734— 10.1016/j.biochi.2011.07.025 2012
HeLa44— 10.1016/j.biochi.2011.07.025 2012

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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