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Complex #986 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID986
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3, "O": 2, "P": 2}
AbbreviationRu1
SMILESC/C(=N\N=C(\N)[O-])c1cc2cc(Cl)ccc2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C49H39ClN3O4P2Ru/(1-41)(2-42)(3-46)(4-43)(5-45)(6-50)(7-52)(8-47)(9-53)(10-49)(11-40)(12-44)(13-48)(14-51)(15-57)(16-58)(17-54)(18-55)(19-56)(20-61)(21-60)(22-63)(23-40)(24-40)(25-67)(26-62)(27-68)(28-64)(29-71)(30-69)(31-70)(32-65)(33-66)(34-74)(35-73)(36-59)(37-72)(38-89)(39-89)(40-77)(41-42)(41-46)(42-82)(43-44)(43-46)(44-82)(45-47)(45-48)(47-50)(48-83)(49-52)(49-53)(50-51)(51-83)(52-57)(53-58)(54-55)(54-60)(55-56)(56-63)(57-84)(58-84)(59-75)(59-76)(60-85)(61-62)(61-67)(62-64)(63-85)(64-68)(65-69)(65-71)(66-70)(66-71)(67-86)(68-86)(69-87)(70-87)(72-74)(72-79)(73-76)(73-88)(74-88)(75-77)(75-81)(76-79)(77-90)(78-94)(79-95)(80-89)(80-91)(80-93)(81-92)(81-95)(82-96)(83-96)(84-96)(85-97)(86-97)(87-97)(88-98)(90-91)(90-99)(91-99)(95-99)(96-99)(97-99)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54912— 10.1016/j.inoche.2022.109986 2022
MCF-716— 10.1016/j.inoche.2022.109986 2022

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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