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Complex #987 — Ru(2) [Ru2]

2D Structure

Structure
⬇ MOL V3000

Info

ID987
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3, "S": 1, "O": 1, "P": 2}
AbbreviationRu2
SMILESC/C(=N\N=C(\N)[S-])c1[c-]c2cc(Cl)ccc2oc1=O.[C-]#[O+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C49H38ClN3O3P2RuS/(1-41)(2-42)(3-43)(4-46)(5-44)(6-45)(7-48)(8-47)(9-49)(10-50)(11-39)(12-51)(13-52)(14-53)(15-57)(16-54)(17-58)(18-55)(19-56)(20-61)(21-60)(22-59)(23-39)(24-39)(25-65)(26-62)(27-63)(28-64)(29-70)(30-66)(31-67)(32-68)(33-69)(34-73)(35-72)(36-71)(37-88)(38-88)(39-76)(40-74)(40-75)(41-42)(41-46)(42-80)(43-45)(43-80)(44-48)(44-81)(45-46)(47-48)(47-50)(49-52)(49-54)(50-51)(51-81)(52-53)(53-82)(54-57)(55-56)(55-58)(56-60)(57-82)(58-83)(59-60)(59-83)(61-62)(61-63)(62-65)(63-66)(64-67)(64-70)(65-84)(66-84)(67-85)(68-69)(68-70)(69-85)(71-73)(71-78)(72-75)(72-87)(73-87)(74-76)(74-79)(75-78)(76-89)(77-92)(78-93)(79-91)(79-93)(80-94)(81-94)(82-94)(83-95)(84-95)(85-95)(86-88)(86-90)(86-96)(87-97)(89-90)(89-98)(90-98)(93-98)(94-98)(95-98)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54912 10.1016/j.inoche.2022.109986 2022
MCF-714 10.1016/j.inoche.2022.109986 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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