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Complex #71 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID71
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 6}
Abbreviation2
SMILESCOc1cc(/C=C/C(=O)/C=C([O-])/C=C/c2ccc(O)c(OC)c2)ccc1O.c1ccc(-c2ccccn2)nc1.c1ccc2cc3nc4c5cccnc5c5ncccc5c4nc3cc2c1

TUCAN

C53H39N6O6Ru/(1-44)(2-43)(3-48)(4-52)(5-75)(6-73)(7-74)(8-56)(9-46)(10-63)(11-40)(12-45)(13-76)(14-59)(15-57)(16-64)(17-49)(18-47)(19-65)(20-55)(21-66)(22-54)(23-50)(24-85)(25-62)(26-60)(27-86)(28-86)(29-85)(30-85)(31-51)(32-61)(33-58)(34-41)(35-42)(36-53)(37-86)(38-101)(39-102)(40-57)(40-68)(41-42)(41-45)(42-62)(43-52)(43-73)(44-67)(44-78)(45-67)(46-48)(46-88)(47-49)(47-69)(48-69)(49-87)(50-71)(50-91)(51-63)(51-76)(52-56)(53-69)(53-90)(54-65)(54-89)(55-66)(55-71)(56-83)(57-74)(58-61)(58-70)(59-63)(59-84)(60-72)(60-82)(61-75)(62-72)(64-87)(64-92)(65-71)(66-92)(67-72)(68-77)(68-79)(70-80)(70-81)(73-95)(74-94)(75-98)(76-96)(77-81)(77-93)(78-82)(78-93)(79-80)(79-94)(80-98)(81-97)(82-97)(83-84)(83-95)(84-96)(85-103)(86-104)(87-100)(88-90)(88-101)(89-91)(89-102)(90-104)(91-103)(92-99)(95-105)(96-105)(97-105)(98-105)(102-105)(103-105)(104-105)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5492.1 10.1039/D0DT01040E 2020
MCF-72.3 10.1039/D0DT01040E 2020
SGC-79012.7 10.1039/D0DT01040E 2020

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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