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Complex #3427 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID3427
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3}
Abbreviation2
SMILESCCNC(=S)NN=Cc1ccc(OC)cc1.Cc1ccc(C(C)C)cc1.[Cl-]

TUCAN

C21H29N3ORuS/(1-45)(2-30)(3-30)(4-34)(5-30)(6-31)(7-35)(8-32)(9-31)(10-38)(11-31)(12-46)(13-48)(14-48)(15-33)(16-47)(17-48)(18-36)(19-37)(20-33)(21-33)(22-41)(23-32)(24-32)(25-39)(26-40)(27-47)(28-52)(29-51)(30-45)(31-45)(32-42)(33-47)(34-35)(34-42)(35-43)(36-37)(36-49)(37-44)(38-39)(38-43)(39-42)(40-41)(40-44)(41-49)(43-45)(44-46)(46-53)(47-51)(48-54)(49-54)(50-51)(50-52)(50-55)(52-53)(53-56)(54-56)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK293T33— 10.1039/c6dt03306g 2016
CNE-240— 10.1039/c6dt03306g 2016
HeLa44— 10.1039/c6dt03306g 2016
HepG263— 10.1039/c6dt03306g 2016
SGC-790163— 10.1039/c6dt03306g 2016
KB85— 10.1039/c6dt03306g 2016

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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