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Complex #2921 — Ru(2) [2C]

2D Structure

Structure
⬇ MOL V3000

Info

ID2921
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4}
Abbreviation2C
SMILESCOC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.Cc1ccccc1.[Cl-]

TUCAN

C27H20N4O2Ru/(1-21)(2-23)(3-21)(4-24)(5-30)(6-46)(7-29)(8-22)(9-27)(10-46)(11-33)(12-26)(13-21)(14-31)(15-32)(16-46)(17-38)(18-25)(19-28)(20-39)(21-34)(22-24)(22-26)(23-24)(23-34)(25-26)(25-34)(27-30)(27-38)(28-29)(28-39)(29-35)(30-36)(31-37)(31-44)(32-33)(32-37)(33-45)(35-40)(35-42)(36-41)(36-43)(37-47)(38-48)(39-51)(40-43)(40-50)(41-42)(41-48)(42-51)(43-49)(44-45)(44-49)(45-50)(46-53)(47-52)(47-53)(50-54)(51-54)(53-54)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23131— 10.1021/acs.inorgchem.3c00570 2023
HCT-11678— 10.1021/acs.inorgchem.3c00570 2023
CT-26—— 10.1021/acs.inorgchem.3c00570 2023
MRC-5—— 10.1021/acs.inorgchem.3c00570 2023

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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