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Complex #2683 — Ru(3) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID2683
MetalRu
Oxidation state3
Charge1
Donor atoms{"N": 4, "S": 1, "P": 2}
Abbreviation1
SMILESN=C([S-])N/N=C/c1ccccn1.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C43H37N4P2RuS/(1-44)(2-39)(3-38)(4-42)(5-43)(6-45)(7-48)(8-40)(9-50)(10-52)(11-41)(12-49)(13-46)(14-53)(15-54)(16-47)(17-51)(18-55)(19-72)(20-67)(21-68)(22-71)(23-66)(24-56)(25-61)(26-58)(27-59)(28-62)(29-63)(30-57)(31-69)(32-64)(33-70)(34-65)(35-60)(36-82)(37-83)(38-39)(38-44)(39-74)(40-42)(40-74)(41-43)(41-75)(42-44)(43-45)(45-50)(46-50)(46-75)(47-52)(47-76)(48-52)(48-53)(49-54)(49-56)(51-53)(51-76)(54-55)(55-77)(56-58)(57-61)(57-63)(58-77)(59-61)(59-78)(60-64)(60-65)(62-63)(62-78)(64-69)(65-70)(66-67)(66-72)(67-68)(68-73)(69-79)(70-79)(71-73)(71-84)(72-81)(73-81)(74-85)(75-85)(76-85)(77-86)(78-86)(79-86)(80-82)(80-83)(80-87)(82-84)(83-88)(84-88)(85-88)(86-88)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-75.2— 10.1002/cmdc.202200444 2022
HeLa16— 10.1002/cmdc.202200444 2022
MCF-12A60— 10.1002/cmdc.202200444 2022
HCC7076— 10.1002/cmdc.202200444 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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