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Complex #3001 — Ru(2) [P1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3001
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3}
AbbreviationP1
SMILESS=C(N/N=C/C1=C(Cl)c2ccccc2OC1)NC1CCCCC1.[Cl-].[Cl-].c1ccccc1

TUCAN

C23H26ClN3ORuS/(1-27)(2-28)(3-29)(4-38)(5-30)(6-38)(7-41)(8-45)(9-41)(10-39)(11-31)(12-32)(13-39)(14-37)(15-40)(16-37)(17-40)(18-33)(19-44)(20-46)(21-36)(22-35)(23-34)(24-46)(25-51)(26-50)(27-28)(27-29)(28-30)(29-31)(30-32)(31-32)(33-35)(33-42)(34-35)(34-36)(36-47)(37-39)(37-40)(38-39)(38-45)(40-41)(41-45)(42-47)(42-49)(43-44)(43-46)(43-49)(44-52)(45-50)(46-53)(47-53)(48-50)(48-51)(48-54)(49-55)(51-52)(52-56)(53-56)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2315.1— 10.1016/j.ica.2024.121973 2024
PANC-17.2— 10.1016/j.ica.2024.121973 2024
MCF-712— 10.1016/j.ica.2024.121973 2024
EA.hy92618— 10.1016/j.ica.2024.121973 2024
MCF-10A22— 10.1016/j.ica.2024.121973 2024
HepG227— 10.1016/j.ica.2024.121973 2024
T2432— 10.1016/j.ica.2024.121973 2024
HeLa60— 10.1016/j.ica.2024.121973 2024
A54968— 10.1016/j.ica.2024.121973 2024

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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