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Complex #2708 — Ru(2) [2b]

2D Structure

Structure
⬇ MOL V3000

Info

ID2708
MetalRu
Oxidation state2
Charge2
Donor atoms{"S": 1, "O": 1, "N": 5}
Abbreviation2b
SMILESCS(C)=O.NC1CC(N)CC(N)C1.c1cnc2c(c1)ccc1cccnc12

TUCAN

C20H29N5ORuS/(1-30)(2-41)(3-31)(4-36)(5-45)(6-42)(7-33)(8-32)(9-46)(10-36)(11-48)(12-48)(13-37)(14-37)(15-48)(16-49)(17-34)(18-38)(19-47)(20-38)(21-35)(22-49)(23-49)(24-50)(25-50)(26-51)(27-51)(28-52)(29-52)(30-33)(30-41)(31-34)(31-42)(32-35)(32-39)(33-39)(34-40)(35-40)(36-45)(36-46)(37-45)(37-47)(38-46)(38-47)(39-43)(40-44)(41-53)(42-54)(43-44)(43-53)(44-54)(45-50)(46-51)(47-52)(48-56)(49-56)(53-57)(54-57)(55-56)(56-57)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549—— 10.1039/d0dt02612c 2020
A2780—— 10.1039/d0dt02612c 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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