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Complex #897 — Ru(2) [10]

2D Structure

Structure
⬇ MOL V3000

Info

ID897
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "P": 1, "O": 2}
Abbreviation10
SMILESC1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc([O-])c2ncccc12

TUCAN

C25H31N5O3PRu/(1-36)(2-54)(3-54)(4-55)(5-33)(6-39)(7-46)(8-33)(9-42)(10-32)(11-32)(12-40)(13-32)(14-50)(15-50)(16-55)(17-51)(18-38)(19-47)(20-33)(21-34)(22-35)(23-37)(24-34)(25-34)(26-41)(27-51)(28-56)(29-56)(30-52)(31-52)(32-43)(33-46)(34-46)(35-37)(35-53)(36-38)(36-45)(37-48)(38-47)(39-40)(39-43)(40-44)(41-42)(41-44)(42-43)(44-46)(45-48)(45-49)(47-61)(48-60)(49-53)(49-61)(50-57)(50-59)(51-57)(51-58)(52-58)(52-59)(53-62)(54-57)(54-65)(55-58)(55-65)(56-59)(56-65)(60-63)(60-64)(61-66)(65-66)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HIO80 10.3389/fphar.2022.920379 2022
COV362 10.3389/fphar.2022.920379 2022

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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