home← all complexes Ir builderC^N familiesD-MPNN

Complex #250 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID250
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESCc1ccc(-c2ccc(C)cn2)nc1.Cc1ccc(-c2ccc(C)cn2)nc1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1

TUCAN

C42H34N8Ru/(1-41)(2-35)(3-65)(4-50)(5-35)(6-44)(7-35)(8-61)(9-62)(10-36)(11-51)(12-64)(13-36)(14-63)(15-66)(16-36)(17-37)(18-48)(19-39)(20-42)(21-37)(22-52)(23-40)(24-45)(25-47)(26-43)(27-49)(28-37)(29-38)(30-46)(31-38)(32-54)(33-53)(34-38)(35-55)(36-56)(37-58)(38-59)(39-40)(39-45)(40-48)(41-42)(41-55)(42-73)(43-44)(43-74)(44-58)(45-70)(46-47)(46-75)(47-56)(48-68)(49-51)(49-60)(50-52)(50-65)(51-64)(52-57)(53-54)(53-76)(54-59)(55-61)(56-62)(57-69)(57-71)(58-63)(59-66)(60-67)(60-72)(61-79)(62-81)(63-83)(64-82)(65-78)(66-84)(67-71)(67-80)(68-70)(68-77)(69-72)(69-78)(70-80)(71-77)(72-82)(73-74)(73-79)(74-83)(75-76)(75-81)(76-84)(79-85)(80-85)(81-85)(82-85)(83-85)(84-85)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
T2434 10.1021/jacs.2c11111 2023
HCT-11654 10.1021/jacs.2c11111 2023
MDA-MB-231 10.1021/jacs.2c11111 2023
HCC38 10.1021/jacs.2c11111 2023
MCF-10A 10.1021/jacs.2c11111 2023

🧬 Cell Death Types (1)

Apoptosis high
«Examining cell fate, an increase in cells with sub-G1 DNA content and annexin V positive population indicate the induction of apoptosis by 4»

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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