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Complex #2652 — Ru(2) [VNK-754]

2D Structure

Structure
⬇ MOL V3000

Info

ID2652
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
AbbreviationVNK-754
SMILESc1cnc2c(c1)c1cccnc1c1ncccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C39H25N7Ru/(1-29)(2-26)(3-31)(4-51)(5-53)(6-27)(7-55)(8-57)(9-42)(10-43)(11-56)(12-36)(13-30)(14-28)(15-41)(16-54)(17-52)(18-35)(19-34)(20-32)(21-38)(22-40)(23-37)(24-33)(25-39)(26-29)(26-44)(27-28)(27-44)(28-45)(29-51)(30-36)(30-45)(31-35)(31-53)(32-38)(32-46)(33-39)(33-52)(34-37)(34-47)(35-47)(36-55)(37-49)(38-54)(39-48)(40-41)(40-49)(41-56)(42-43)(42-50)(43-57)(44-58)(45-60)(46-62)(46-64)(47-61)(48-50)(48-59)(49-63)(50-62)(51-66)(52-67)(53-68)(54-65)(55-70)(56-71)(57-69)(58-60)(58-66)(59-64)(59-67)(60-70)(61-63)(61-68)(62-69)(63-71)(64-65)(66-72)(67-72)(68-72)(69-72)(70-72)(71-72)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278074— 10.3389/fmolb.2023.1252285 2023
HeLa—— 10.3389/fmolb.2023.1252285 2023
DU-145—— 10.3389/fmolb.2023.1252285 2023
PNT1A—— 10.3389/fmolb.2023.1252285 2023
MDA-MB-231—— 10.3389/fmolb.2023.1252285 2023
A2780-CP70—— 10.3389/fmolb.2023.1252285 2023

🧬 Cell Death Types (1)

Apoptosis high
«An increase in Q4 (annexin V APC), demonstrating early apoptosis, was seen for both VNK-572 and cisplatin following 72 h of treatment (14% vs. 26% for VNK-572% and 13% vs. 39% for cisplatin). The same...»

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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