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Complex #4382 — Ru(2) [B2D]

2D Structure

Structure
⬇ MOL V3000

Info

ID4382
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationB2D
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

TUCAN

C44H32N6Ru/(1-40)(2-33)(3-35)(4-48)(5-67)(6-34)(7-65)(8-66)(9-69)(10-38)(11-68)(12-70)(13-36)(14-41)(15-43)(16-45)(17-46)(18-47)(19-50)(20-42)(21-37)(22-39)(23-56)(24-44)(25-49)(26-52)(27-51)(28-53)(29-55)(30-54)(31-57)(32-58)(33-38)(33-59)(34-35)(34-40)(35-36)(36-41)(37-42)(37-51)(38-63)(39-45)(39-71)(40-60)(41-60)(42-49)(43-45)(43-65)(44-46)(44-73)(46-47)(47-66)(48-61)(48-67)(49-62)(50-64)(50-68)(51-52)(52-62)(53-54)(53-56)(54-75)(55-57)(55-58)(56-69)(57-76)(58-70)(59-61)(59-72)(60-61)(62-64)(63-64)(63-74)(65-77)(66-78)(67-79)(68-80)(69-81)(70-82)(71-75)(71-77)(72-74)(72-79)(73-76)(73-78)(74-80)(75-81)(76-82)(77-83)(78-83)(79-83)(80-83)(81-83)(82-83)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
H35827— 10.1002/cmdc.202300347 2023
MCF-730— 10.1002/cmdc.202300347 2023

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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