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Complex #2755 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID2755
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation2
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1.OCCNc1c(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F

TUCAN

C49H37F4N9ORu/(1-43)(2-38)(3-44)(4-38)(5-47)(6-38)(7-39)(8-48)(9-39)(10-39)(11-40)(12-40)(13-40)(14-67)(15-67)(16-41)(17-41)(18-41)(19-51)(20-65)(21-42)(22-46)(23-45)(24-56)(25-82)(26-50)(27-49)(28-82)(29-66)(30-52)(31-54)(32-53)(33-57)(34-55)(35-88)(36-89)(37-96)(38-69)(39-71)(40-76)(41-80)(42-52)(42-66)(43-44)(43-69)(44-58)(45-49)(45-58)(46-47)(46-65)(47-60)(48-50)(48-71)(49-59)(50-59)(51-53)(51-76)(52-61)(53-63)(54-57)(54-63)(55-56)(55-64)(56-80)(57-64)(58-70)(59-72)(60-78)(60-79)(61-74)(61-77)(62-81)(62-84)(62-85)(63-73)(64-75)(65-91)(66-87)(67-82)(67-88)(68-83)(68-86)(68-88)(69-90)(70-72)(70-90)(71-92)(72-92)(73-75)(73-93)(74-78)(74-87)(75-94)(76-93)(77-79)(77-89)(78-91)(79-95)(80-94)(81-89)(81-95)(82-96)(83-84)(83-97)(84-99)(85-86)(85-100)(86-98)(90-101)(91-101)(92-101)(93-101)(94-101)(95-101)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-79013.7— 10.1007/s11243-019-00365-9 2019
PC-128.2— 10.1007/s11243-019-00365-9 2019
BEL-740274— 10.1007/s11243-019-00365-9 2019
A549—— 10.1007/s11243-019-00365-9 2019
HeLa—— 10.1007/s11243-019-00365-9 2019
HepG2—— 10.1007/s11243-019-00365-9 2019
MG-63—— 10.1007/s11243-019-00365-9 2019
SiHa—— 10.1007/s11243-019-00365-9 2019
LO2—— 10.1007/s11243-019-00365-9 2019

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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