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Complex #3613 — Ru(2) [6Ru]

2D Structure

Structure
⬇ MOL V3000

Info

ID3613
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "P": 1}
Abbreviation6Ru
SMILESCO[C@H]1O[C@H](Cn2cc(-c3ccccn3)nn2)[C@@H](O)[C@H](O)[C@H]1O.Cc1c(C)c(C)[c-](C)c1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C42H48N4O5PRu/(1-55)(2-54)(3-56)(4-57)(5-63)(6-49)(7-49)(8-49)(9-60)(10-61)(11-58)(12-59)(13-62)(14-71)(15-85)(16-86)(17-84)(18-66)(19-87)(20-82)(21-77)(22-50)(23-50)(24-50)(25-51)(26-65)(27-70)(28-64)(29-51)(30-51)(31-52)(32-69)(33-52)(34-52)(35-53)(36-53)(37-53)(38-82)(39-67)(40-78)(41-79)(42-79)(43-83)(44-68)(45-82)(46-96)(47-97)(48-95)(49-72)(50-73)(51-74)(52-75)(53-76)(54-55)(54-57)(55-88)(56-58)(56-88)(57-58)(59-60)(59-63)(60-89)(61-62)(61-89)(62-63)(64-65)(64-90)(65-71)(66-67)(66-77)(67-68)(68-80)(69-70)(69-90)(70-71)(72-73)(72-74)(73-75)(74-76)(75-76)(77-93)(78-81)(78-91)(79-83)(79-91)(80-81)(80-93)(81-94)(82-99)(83-84)(83-98)(84-86)(84-97)(85-86)(85-87)(85-95)(86-96)(87-98)(87-99)(88-100)(89-100)(90-100)(91-92)(92-94)(93-101)(94-101)(97-101)(98-101)(99-101)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-1167.4— 10.1039/c6dt01571a 2016

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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