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Complex #4051 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID4051
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESc1cc2c3c(cccc3c1)-c1[nH]c(-c3cc4cccnc4c4ncccc34)nc1-2.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C49H30N8Ru/(1-38)(2-33)(3-40)(4-52)(5-44)(6-45)(7-65)(8-31)(9-34)(10-46)(11-32)(12-66)(13-35)(14-41)(15-36)(16-43)(17-67)(18-50)(19-39)(20-37)(21-48)(22-70)(23-42)(24-49)(25-69)(26-51)(27-53)(28-68)(29-47)(30-81)(31-34)(31-65)(32-35)(32-66)(33-42)(33-54)(34-54)(35-55)(36-38)(36-51)(37-56)(37-59)(38-58)(39-53)(39-59)(40-49)(40-55)(41-43)(41-67)(42-61)(43-61)(44-45)(44-64)(45-52)(46-50)(46-60)(47-48)(47-62)(48-68)(49-62)(50-70)(51-64)(52-63)(53-69)(54-71)(55-72)(56-60)(56-79)(57-58)(57-63)(57-64)(58-75)(59-76)(60-74)(61-73)(62-78)(63-77)(65-82)(66-83)(67-85)(68-87)(69-86)(70-84)(71-73)(71-82)(72-78)(72-83)(73-85)(74-76)(74-84)(75-77)(75-80)(76-86)(77-81)(78-87)(79-80)(79-81)(82-88)(83-88)(84-88)(85-88)(86-88)(87-88)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
EC10917— 10.1002/aoc.5312 2019
A54947— 10.1002/aoc.5312 2019
NIH-3T366— 10.1002/aoc.5312 2019

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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