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Complex #1646 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1646
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationRu1
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C1c2ccccc2C(=O)c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc21

TUCAN

C51H38N8O2Ru/(1-39)(2-44)(3-39)(4-73)(5-51)(6-77)(7-60)(8-74)(9-49)(10-46)(11-53)(12-39)(13-40)(14-50)(15-40)(16-54)(17-45)(18-75)(19-43)(20-48)(21-52)(22-59)(23-47)(24-56)(25-76)(26-58)(27-40)(28-55)(29-57)(30-78)(31-41)(32-41)(33-41)(34-42)(35-42)(36-42)(37-61)(38-91)(39-64)(40-67)(41-68)(42-69)(43-48)(43-53)(44-59)(44-73)(45-46)(45-71)(46-62)(47-62)(47-65)(48-66)(49-64)(49-74)(50-67)(50-75)(51-64)(51-79)(52-67)(52-82)(53-54)(54-63)(55-68)(55-76)(56-68)(56-85)(57-69)(57-78)(58-60)(58-70)(59-72)(60-77)(61-69)(61-86)(62-87)(63-66)(63-88)(65-71)(65-88)(66-89)(70-83)(70-84)(71-89)(72-80)(72-81)(73-90)(74-92)(75-93)(76-94)(77-96)(78-97)(79-82)(79-92)(80-83)(80-91)(81-84)(81-90)(82-93)(83-95)(84-96)(85-86)(85-94)(86-97)(87-91)(87-95)(88-98)(89-99)(92-100)(93-100)(94-100)(95-100)(96-100)(97-100)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
B16-F103— 10.1016/j.jinorgbio.2025.11287... 2025
B16-F105— 10.1016/j.jinorgbio.2025.11287... 2025
WM11513— 10.1016/j.jinorgbio.2025.11287... 2025
WM11517— 10.1016/j.jinorgbio.2025.11287... 2025

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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