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Complex #953 — Ru(3) [5b]

2D Structure

Structure
⬇ MOL V3000

Info

ID953
MetalRu
Oxidation state3
Charge0
Donor atoms{"N": 2, "O": 1}
Abbreviation5b
SMILESCCOC(=O)C(Cc1c[nH]c2ccccc12)NCc1cccc(OC)c1[O-].O.[Cl-].[Cl-]

TUCAN

C21H23N2O4Ru/(1-30)(2-40)(3-37)(4-40)(5-28)(6-41)(7-39)(8-36)(9-26)(10-27)(11-24)(12-24)(13-32)(14-25)(15-32)(16-24)(17-41)(18-37)(19-40)(20-31)(21-29)(22-45)(23-46)(24-41)(25-26)(25-29)(26-35)(27-28)(27-38)(28-31)(29-43)(30-31)(30-33)(32-34)(32-39)(33-34)(33-38)(34-36)(35-37)(35-42)(36-45)(37-46)(38-45)(39-44)(39-46)(40-49)(41-50)(42-43)(42-47)(43-49)(44-48)(44-50)(49-51)(50-51)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa17 10.1002/jbt.22510 2020
MCF-722 10.1002/jbt.22510 2020
A54923 10.1002/jbt.22510 2020

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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