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Complex #311 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID311
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1

TUCAN

C51H37N9Ru/(1-39)(2-38)(3-41)(4-42)(5-44)(6-72)(7-46)(8-61)(9-54)(10-50)(11-52)(12-47)(13-64)(14-45)(15-73)(16-40)(17-56)(18-48)(19-63)(20-74)(21-55)(22-49)(23-57)(24-58)(25-51)(26-43)(27-53)(28-75)(29-59)(30-71)(31-60)(32-76)(33-66)(34-67)(35-62)(36-65)(37-90)(38-54)(38-77)(39-41)(39-83)(40-55)(40-77)(41-68)(42-43)(42-83)(43-68)(44-46)(44-72)(45-47)(45-73)(46-61)(47-64)(48-57)(48-80)(49-58)(49-75)(50-54)(50-55)(51-59)(51-80)(52-56)(52-70)(53-57)(53-59)(56-71)(58-69)(60-63)(60-66)(61-84)(62-65)(62-67)(63-74)(64-85)(65-76)(66-86)(67-87)(68-88)(69-79)(69-81)(70-78)(70-82)(71-89)(72-92)(73-93)(74-96)(75-94)(76-97)(77-91)(78-79)(78-89)(79-94)(80-91)(81-82)(81-95)(82-90)(83-91)(84-87)(84-92)(85-86)(85-93)(86-96)(87-97)(88-90)(88-95)(92-98)(93-98)(94-98)(95-98)(96-98)(97-98)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
B1615 10.1016/j.jinorgbio.2022.11196... 2022
A54917 10.1016/j.jinorgbio.2022.11196... 2022
HepG220 10.1016/j.jinorgbio.2022.11196... 2022
LO231 10.1016/j.jinorgbio.2022.11196... 2022
HeLa493.6 10.1039/d0dt01684e 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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