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Complex #305 — Ru(2) [Ru(BAC)]

2D Structure

Structure
⬇ MOL V3000

Info

ID305
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 2, "P": 2}
AbbreviationRu(BAC)
SMILESO=C([O-])c1ccccc1.c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C45H41N2O2P2Ru/(1-48)(2-49)(3-44)(4-81)(5-45)(6-42)(7-51)(8-50)(9-43)(10-52)(11-73)(12-60)(13-53)(14-59)(15-81)(16-73)(17-61)(18-62)(19-64)(20-82)(21-65)(22-63)(23-67)(24-70)(25-66)(26-74)(27-82)(28-74)(29-54)(30-76)(31-77)(32-56)(33-71)(34-47)(35-46)(36-57)(37-55)(38-58)(39-68)(40-72)(41-69)(42-44)(42-45)(43-50)(43-52)(44-48)(45-49)(46-47)(46-57)(47-55)(48-83)(49-83)(50-51)(51-84)(52-60)(53-61)(53-63)(54-56)(54-58)(55-75)(56-76)(57-68)(58-78)(59-62)(59-63)(60-84)(61-85)(62-85)(64-65)(64-70)(65-86)(66-67)(66-86)(67-70)(68-75)(69-72)(69-79)(71-72)(71-77)(73-74)(73-81)(74-82)(75-80)(76-87)(77-88)(78-79)(78-87)(79-88)(80-89)(80-90)(81-91)(82-92)(83-91)(84-91)(85-92)(86-92)(87-93)(88-93)(91-93)(92-93)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2310.48 10.1039/d0dt03490h 2020
L-9290.62 10.1039/d0dt03490h 2020
MCF-10A2 10.1039/d0dt03490h 2020
MCF-77 10.1039/d0dt03490h 2020

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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