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Complex #3695 — Ru(2) [RPD]

2D Structure

Structure
⬇ MOL V3000

Info

ID3695
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRPD
SMILESc1cnc2c(c1)c1nc(-c3ccc4[nH]ccc4c3)[nH]c1c1nccnc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C44H28N10Ru/(1-32)(2-29)(3-61)(4-54)(5-31)(6-59)(7-34)(8-33)(9-55)(10-56)(11-30)(12-45)(13-60)(14-38)(15-46)(16-36)(17-58)(18-39)(19-41)(20-40)(21-35)(22-37)(23-44)(24-57)(25-42)(26-43)(27-75)(28-76)(29-31)(29-47)(30-34)(30-48)(31-54)(32-33)(32-47)(33-48)(34-55)(35-50)(35-57)(36-49)(36-50)(37-46)(37-49)(38-39)(38-56)(39-51)(40-43)(40-51)(41-42)(41-58)(42-52)(43-52)(44-45)(44-53)(45-60)(46-71)(47-62)(48-63)(49-72)(50-71)(51-64)(52-67)(53-69)(53-70)(54-77)(55-78)(56-79)(57-76)(58-82)(59-61)(59-74)(60-80)(61-73)(62-63)(62-77)(63-78)(64-67)(64-79)(65-66)(65-68)(65-73)(66-69)(66-75)(67-82)(68-70)(68-74)(69-81)(70-80)(71-76)(72-75)(72-81)(77-83)(78-83)(79-83)(80-83)(81-83)(82-83)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa12— 10.1016/j.ejmech.2014.05.040 2014
A54930— 10.1016/j.ejmech.2014.05.040 2014
HEp-235— 10.1016/j.ejmech.2014.05.040 2014
A37537— 10.1016/j.ejmech.2014.05.040 2014
HepG272— 10.1016/j.ejmech.2014.05.040 2014
NIH-3T31.5e+02— 10.1016/j.ejmech.2014.05.040 2014

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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