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Complex #6888 — Rh(3) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID6888
MetalRh
Oxidation state3
Charge0
Donor atoms{"N": 6}
Abbreviation3
SMILESCCCCc1c(C)nn(-c2cc(C)c3c(n2)nn2c(C)c(CCCC)c(C)nc32)c1C.O.[Cl-].[Cl-].[Cl-]

TUCAN

C25H34N6Rh/(1-48)(2-42)(3-38)(4-36)(5-44)(6-45)(7-37)(8-39)(9-39)(10-35)(11-37)(12-36)(13-47)(14-44)(15-35)(16-39)(17-40)(18-40)(19-46)(20-43)(21-36)(22-38)(23-38)(24-37)(25-48)(26-46)(27-47)(28-40)(29-35)(30-45)(31-43)(32-41)(33-41)(34-41)(35-45)(36-56)(37-53)(38-52)(39-55)(40-54)(41-48)(42-52)(42-59)(43-47)(43-49)(44-46)(44-50)(45-46)(47-48)(49-53)(49-55)(50-54)(50-56)(51-52)(51-57)(51-58)(53-65)(54-60)(55-62)(56-63)(57-60)(57-63)(58-61)(58-64)(59-62)(59-64)(61-63)(62-65)(64-66)(65-66)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
T244.3— 10.1016/j.bioorg.2023.106838 2023
WI-385.1— 10.1016/j.bioorg.2023.106838 2023
A5495.6— 10.1016/j.bioorg.2023.106838 2023
BEL-74047.4— 10.1016/j.bioorg.2023.106838 2023
HL-77027.4— 10.1016/j.bioorg.2023.106838 2023
HeLa8.5— 10.1016/j.bioorg.2023.106838 2023
SK-OV-39.3— 10.1016/j.bioorg.2023.106838 2023

🧬 Cell Death Types (1)

Apoptosis high
«Mechanism studies indicated that complexes 5 and 6 induced G2/M phase cell cycle arrest through DNA damage, and induced apoptosis via endoplasmic reticulum stress response. In addition, complex 5 also...»

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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