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Complex #4725 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID4725
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESC=Nc1c(C)c2nc[nH]c2c2cccnc12.C=Nc1c(C)c2nc[nH]c2c2cccnc12.Nc1nc(N)c2nc3c4cccnc4c4ncccc4c3nc2n1

TUCAN

C40H30N16Ru/(1-66)(2-35)(3-38)(4-31)(5-51)(6-47)(7-47)(8-36)(9-67)(10-31)(11-40)(12-50)(13-48)(14-33)(15-31)(16-39)(17-49)(18-32)(19-37)(20-48)(21-52)(22-34)(23-32)(24-32)(25-72)(26-72)(27-79)(28-80)(29-71)(30-71)(31-42)(32-43)(33-36)(33-51)(34-37)(34-52)(35-40)(35-49)(36-45)(37-46)(38-39)(38-50)(39-44)(40-41)(41-57)(41-58)(42-54)(42-61)(43-56)(43-62)(44-55)(44-64)(45-53)(45-63)(46-60)(46-65)(47-83)(48-85)(49-76)(50-78)(51-74)(52-75)(53-61)(53-74)(54-63)(54-84)(55-58)(55-78)(56-65)(56-86)(57-64)(57-81)(58-76)(59-68)(59-69)(59-81)(60-62)(60-75)(61-85)(62-83)(63-79)(64-77)(65-80)(66-79)(66-84)(67-80)(67-86)(68-72)(68-82)(69-73)(69-77)(70-71)(70-73)(70-82)(81-87)(82-87)(83-87)(84-87)(85-87)(86-87)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa18— 10.1007/s13738-011-0031-x 2012
BEL-740224— 10.1007/s13738-011-0031-x 2012
HepG232— 10.1007/s13738-011-0031-x 2012
MCF-737— 10.1007/s13738-011-0031-x 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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