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Complex #554 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID554
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu1
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1

TUCAN

C50H39F3N8Ru/(1-40)(2-49)(3-40)(4-54)(5-40)(6-76)(7-79)(8-52)(9-74)(10-45)(11-50)(12-44)(13-47)(14-41)(15-75)(16-77)(17-55)(18-56)(19-46)(20-41)(21-48)(22-60)(23-41)(24-61)(25-51)(26-53)(27-57)(28-62)(29-42)(30-42)(31-63)(32-58)(33-59)(34-42)(35-43)(36-78)(37-43)(38-43)(39-91)(40-65)(41-66)(42-71)(43-72)(44-45)(44-68)(45-67)(46-48)(46-68)(47-50)(47-70)(48-67)(49-54)(49-64)(50-69)(51-65)(51-74)(52-65)(52-81)(53-66)(53-75)(54-76)(55-56)(55-70)(56-69)(57-66)(57-82)(58-71)(58-77)(59-72)(59-78)(60-61)(60-73)(61-79)(62-71)(62-83)(63-72)(63-87)(64-85)(64-86)(67-89)(68-70)(69-88)(73-80)(73-84)(74-93)(75-94)(76-90)(77-96)(78-97)(79-95)(80-85)(80-92)(81-82)(81-93)(82-94)(83-87)(83-96)(84-86)(84-95)(85-91)(86-90)(87-97)(88-91)(88-92)(89-98)(89-99)(89-100)(92-101)(93-101)(94-101)(95-101)(96-101)(97-101)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG225 10.1016/j.jinorgbio.2023.11223... 2023
BEL-740233 10.1016/j.jinorgbio.2023.11223... 2023
B1641 10.1016/j.jinorgbio.2023.11223... 2023
A54954 10.1016/j.jinorgbio.2023.11223... 2023
HeLa78 10.1016/j.jinorgbio.2023.11223... 2023
LO2 10.1016/j.jinorgbio.2023.11223... 2023

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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