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Complex #4465 — Ru(2) [[RuL5PTA]]

2D Structure

Structure
⬇ MOL V3000

Info

ID4465
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 4, "P": 1, "O": 1}
Abbreviation[RuL5PTA]
SMILESC1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.[O-]c1c(Br)cc(Br)c2cccnc12

TUCAN

C25H30Br2N4OPRu/(1-40)(2-51)(3-51)(4-52)(5-52)(6-32)(7-31)(8-36)(9-32)(10-32)(11-31)(12-37)(13-31)(14-47)(15-47)(16-53)(17-48)(18-35)(19-45)(20-33)(21-34)(22-33)(23-44)(24-33)(25-38)(26-39)(27-48)(28-49)(29-49)(30-53)(31-41)(32-44)(33-44)(34-40)(34-45)(35-54)(35-55)(36-37)(36-42)(37-41)(38-39)(38-42)(39-41)(40-43)(42-44)(43-46)(43-55)(45-59)(46-50)(46-59)(47-56)(47-58)(48-56)(48-57)(49-57)(49-58)(50-54)(50-60)(51-56)(51-61)(52-57)(52-61)(53-58)(53-61)(54-63)(55-62)(59-64)(61-64)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
T98G31— 10.1039/d2dt00666a 2022
U-87 MG34— 10.1039/d2dt00666a 2022
LN22991— 10.1039/d2dt00666a 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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