home← all complexes Ir builderC^N familiesD-MPNN

Complex #1290 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID1290
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 7, "P": 1}
Abbreviation5
SMILESC1N2CN3CN1CP(C2)C3.CC(=O)[N-]c1nnc(S([NH-])(=O)=O)s1.Cc1ccc(C(C)C)cc1

TUCAN

C20H30N7O3PRuS2/(1-36)(2-34)(3-34)(4-31)(5-46)(6-46)(7-47)(8-47)(9-48)(10-31)(11-31)(12-32)(13-35)(14-34)(15-38)(16-41)(17-32)(18-32)(19-37)(20-42)(21-42)(22-33)(23-33)(24-33)(25-43)(26-43)(27-48)(28-44)(29-44)(30-55)(31-41)(32-41)(33-45)(34-40)(35-36)(35-39)(36-40)(37-38)(37-39)(38-40)(39-41)(42-51)(42-52)(43-51)(43-53)(44-52)(44-53)(45-56)(45-58)(46-51)(46-61)(47-52)(47-61)(48-53)(48-61)(49-56)(49-57)(49-62)(50-54)(50-62)(50-63)(54-57)(55-63)(56-64)(57-64)(59-63)(60-63)(61-64)(62-64)(63-64)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780—— 10.1039/c8dt01555d 2018
A2780cisR—— 10.1039/c8dt01555d 2018
HEK293—— 10.1039/c8dt01555d 2018

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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