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Complex #4222 — Ru(2) [2b]

2D Structure

Structure
⬇ MOL V3000

Info

ID4222
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "P": 1, "O": 1}
Abbreviation2b
SMILESC1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]n1c(=S)ccc2ccccc21

TUCAN

C25N4OPRuS/(1-17)(2-16)(3-17)(4-5)(4-16)(5-15)(6-7)(6-25)(7-14)(8-11)(8-13)(9-10)(9-16)(10-15)(11-12)(12-14)(13-18)(14-18)(15-17)(18-29)(19-26)(19-27)(20-26)(20-28)(21-27)(21-28)(22-26)(22-31)(23-27)(23-31)(24-28)(24-31)(25-29)(25-32)(29-30)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780—— 10.3390/cancers13102493 2021
A549—— 10.3390/cancers13102493 2021
HCT-116—— 10.3390/cancers13102493 2021
OE19—— 10.3390/cancers13102493 2021
HepG2—— 10.3390/cancers13102493 2021
PC-3—— 10.3390/cancers13102493 2021
SK-OV-3—— 10.3390/cancers13102493 2021
SW626—— 10.3390/cancers13102493 2021

🧬 Cell Death Types (1)

Apoptosis medium
«A2780 cells treated with complex 1a only showed partial evidence for apoptotic cell death (8.4% of cell population)»

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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