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Complex #1792 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1792
MetalRu
Oxidation state2
Charge0
Donor atoms{"O": 6, "P": 1, "N": 1}
Abbreviation3
SMILESC1CCC2(CC1)O[C@H]1O[C@@H]3C4CO[P@](O4)O[C@@H]3[C@H]1O2.O=C1C=CC(=O)N1Cc1ccccc1.[Cl-].[Cl-]

TUCAN

C23H26NO8PRu/(1-41)(2-45)(3-42)(4-30)(5-40)(6-27)(7-31)(8-28)(9-29)(10-40)(11-35)(12-34)(13-35)(14-37)(15-37)(16-36)(17-34)(18-32)(19-41)(20-43)(21-33)(22-44)(23-38)(24-36)(25-38)(26-48)(27-28)(27-30)(28-29)(29-31)(30-39)(31-39)(32-33)(32-46)(33-47)(34-35)(34-37)(35-49)(36-38)(36-49)(37-38)(39-40)(40-50)(41-43)(41-56)(42-44)(42-45)(42-57)(43-44)(43-58)(44-53)(45-48)(45-55)(46-50)(46-51)(47-50)(47-52)(48-53)(48-54)(49-54)(49-55)(53-60)(54-60)(55-60)(56-59)(56-60)(57-59)(57-60)(58-59)(58-60)(59-60)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SW48013— 10.1039/c1cc14713g 2012
CH-115— 10.1039/c1cc14713g 2012
A54992— 10.1039/c1cc14713g 2012

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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