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Complex #1973 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1973
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 2, "S": 1, "O": 1, "P": 2}
Abbreviation1
SMILESOc1ccc2ccccc2c1/C=N/N=C(/[S-])SCc1ccccc1.[C-]#[O+].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C56H45N2O2P2RuS2/(1-51)(2-46)(3-49)(4-47)(5-52)(6-48)(7-58)(8-50)(9-60)(10-53)(11-57)(12-61)(13-59)(14-69)(15-86)(16-72)(17-85)(18-64)(19-62)(20-65)(21-66)(22-76)(23-63)(24-68)(25-78)(26-79)(27-83)(28-75)(29-54)(30-70)(31-74)(32-71)(33-77)(34-80)(35-81)(36-67)(37-84)(38-82)(39-73)(40-100)(41-91)(42-56)(43-55)(44-100)(45-105)(46-49)(46-94)(47-50)(47-94)(48-53)(48-95)(49-51)(50-51)(52-53)(52-59)(54-70)(54-89)(55-56)(55-69)(56-88)(57-64)(57-65)(58-59)(58-95)(60-64)(60-96)(61-65)(61-96)(62-68)(62-97)(63-68)(63-75)(66-75)(66-97)(67-77)(67-80)(69-72)(70-74)(71-73)(71-74)(72-90)(73-89)(76-77)(76-98)(78-80)(78-98)(79-81)(79-99)(81-82)(82-84)(83-84)(83-99)(85-86)(85-90)(86-93)(87-88)(87-91)(87-93)(88-90)(89-100)(91-103)(92-104)(93-105)(94-106)(95-106)(96-106)(97-107)(98-107)(99-107)(100-109)(101-102)(101-108)(101-109)(102-103)(102-110)(103-110)(105-110)(106-110)(107-110)(109-110)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa26— 10.1039/c5qi00029g 2015
Vero47— 10.1039/c5qi00029g 2015

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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