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Complex #3416 — Ru(2) [ct-[RuCl(CO)(dppb)(bipy)]PF6]

2D Structure

Structure
⬇ MOL V3000

Info

ID3416
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "N": 2, "P": 2}
Abbreviationct-[RuCl(CO)(dppb)(bipy)]PF6
SMILES[C-]#[O+].[Cl-].c1ccc(-c2ccccn2)nc1.c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

TUCAN

C39H36N2OP2Ru/(1-40)(2-42)(3-37)(4-43)(5-39)(6-38)(7-47)(8-49)(9-48)(10-53)(11-52)(12-41)(13-58)(14-56)(15-70)(16-50)(17-51)(18-61)(19-44)(20-70)(21-54)(22-45)(23-46)(24-63)(25-71)(26-59)(27-71)(28-55)(29-62)(30-63)(31-64)(32-64)(33-65)(34-66)(35-60)(36-57)(37-38)(37-40)(38-39)(39-42)(40-72)(41-52)(41-67)(42-72)(43-47)(43-73)(44-48)(44-73)(45-50)(45-74)(46-51)(46-74)(47-49)(48-49)(50-53)(51-53)(52-56)(54-55)(54-61)(55-75)(56-65)(57-58)(57-60)(58-68)(59-61)(59-62)(60-66)(62-75)(63-64)(63-70)(64-71)(65-76)(66-77)(67-68)(67-76)(68-77)(69-78)(70-79)(71-80)(72-79)(73-79)(74-80)(75-80)(76-81)(77-81)(79-81)(80-81)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
B16-F102.8— 10.1016/j.jinorgbio.2016.08.01... 2016
HepG23.9— 10.1016/j.jinorgbio.2016.08.01... 2016
HepG23.9— 10.1002/jat.3753 2018
MO59J4.3— 10.1016/j.jinorgbio.2016.08.01... 2016
HeLa5.1— 10.1016/j.jinorgbio.2016.08.01... 2016
MCF-76.6— 10.1016/j.jinorgbio.2016.08.01... 2016
V798.7— 10.1016/j.jinorgbio.2016.08.01... 2016
V798.7— 10.1002/jat.3753 2018

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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