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Complex #3830 — Ru(2) [RMC1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3830
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRMC1
SMILESCn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.c1csc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1

TUCAN

C33H34N12RuS/(1-50)(2-39)(3-37)(4-48)(5-43)(6-43)(7-66)(8-38)(9-51)(10-43)(11-44)(12-35)(13-47)(14-61)(15-49)(16-52)(17-44)(18-44)(19-62)(20-53)(21-45)(22-45)(23-45)(24-46)(25-36)(26-63)(27-40)(28-54)(29-55)(30-46)(31-64)(32-46)(33-56)(34-69)(35-36)(35-66)(36-67)(37-38)(37-42)(38-47)(39-40)(39-41)(40-53)(41-57)(41-59)(42-58)(42-60)(43-70)(44-71)(45-72)(46-73)(47-68)(48-50)(48-74)(49-51)(49-76)(50-70)(51-71)(52-54)(52-72)(53-77)(54-78)(55-56)(55-79)(56-73)(57-60)(57-75)(58-59)(58-68)(59-77)(60-69)(61-70)(61-74)(62-71)(62-76)(63-72)(63-78)(64-73)(64-79)(65-67)(65-69)(65-75)(66-80)(67-80)(74-81)(75-81)(76-81)(77-81)(78-81)(79-81)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54918— 10.1016/j.biochi.2011.07.025 2012
A37520— 10.1016/j.biochi.2011.07.025 2012
HepG221— 10.1016/j.biochi.2011.07.025 2012
MCF-729— 10.1016/j.biochi.2011.07.025 2012
HeLa41— 10.1016/j.biochi.2011.07.025 2012
HBE53— 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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