home← all complexes Ir builderC^N familiesD-MPNN

Complex #4238 — Ru(3) [8]

2D Structure

Structure
⬇ MOL V3000

Info

ID4238
MetalRu
Oxidation state3
Charge0
Donor atoms{"N": 4, "O": 1, "P": 1}
Abbreviation8
SMILESNC1N=C(S)N=C(O)C1/N=C/c1c([O-])ccc2ccccc12.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C33H28N4O2PRuS/(1-30)(2-33)(3-29)(4-32)(5-35)(6-39)(7-31)(8-34)(9-40)(10-37)(11-38)(12-47)(13-46)(14-55)(15-54)(16-48)(17-42)(18-43)(19-41)(20-36)(21-44)(22-45)(23-53)(24-49)(25-62)(26-62)(27-67)(28-69)(29-30)(29-33)(30-58)(31-32)(31-58)(32-33)(34-35)(34-59)(35-39)(36-48)(36-56)(37-39)(37-40)(38-42)(38-43)(40-59)(41-42)(41-44)(43-60)(44-60)(45-49)(45-50)(46-47)(46-49)(47-52)(48-52)(50-51)(50-52)(51-53)(51-56)(53-63)(54-55)(54-57)(54-63)(55-62)(55-64)(56-66)(57-65)(57-67)(58-68)(59-68)(60-68)(61-64)(61-65)(61-69)(64-70)(65-70)(67-70)(68-70)(69-70)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-729 10.1002/aoc.3760 2017

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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