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Complex #4092 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID4092
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 2, "P": 1}
Abbreviation3
SMILESCc1ccc(C(C)C)cc1.Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C50H46ClN2PRu/(1-50)(2-51)(3-54)(4-92)(5-70)(6-63)(7-64)(8-73)(9-72)(10-56)(11-58)(12-68)(13-62)(14-69)(15-65)(16-52)(17-67)(18-53)(19-76)(20-48)(21-48)(22-47)(23-48)(24-88)(25-59)(26-79)(27-89)(28-77)(29-66)(30-74)(31-82)(32-57)(33-78)(34-75)(35-81)(36-61)(37-80)(38-90)(39-55)(40-60)(41-47)(42-49)(43-49)(44-47)(45-49)(46-71)(47-83)(48-88)(49-88)(50-51)(50-93)(51-54)(52-63)(52-93)(53-65)(53-94)(54-63)(55-59)(55-83)(56-61)(56-62)(57-61)(57-86)(58-68)(58-70)(59-84)(60-71)(60-84)(62-96)(64-65)(64-67)(66-67)(66-94)(68-69)(69-72)(70-85)(71-83)(72-85)(73-76)(73-77)(74-76)(74-95)(75-77)(75-95)(78-79)(78-81)(79-87)(80-81)(80-82)(82-87)(84-88)(85-91)(86-91)(86-96)(87-91)(89-90)(89-98)(90-97)(91-97)(92-97)(92-98)(93-99)(94-99)(95-99)(96-100)(98-101)(99-101)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5490.61— 10.3390/inorganics6040132 2018
MDA-MB-2310.63— 10.3390/inorganics6040132 2018
L-9291.1— 10.3390/inorganics6040132 2018
MRC-51.2— 10.3390/inorganics6040132 2018
DU-1455.1— 10.3390/inorganics6040132 2018

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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