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Complex #1310 — Ru(2) [5(2+)]

2D Structure

Structure
⬇ MOL V3000

Info

ID1310
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation5(2+)
SMILESc1cnc2c(c1)c1nc3c4cccnc4c4ncccc4c3nc1c1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C48H28N10Ru/(1-42)(2-29)(3-46)(4-57)(5-35)(6-58)(7-31)(8-41)(9-62)(10-59)(11-40)(12-61)(13-30)(14-32)(15-63)(16-33)(17-60)(18-64)(19-48)(20-36)(21-34)(22-38)(23-39)(24-43)(25-37)(26-47)(27-44)(28-45)(29-31)(29-49)(30-32)(30-52)(31-57)(32-58)(33-38)(33-59)(34-39)(34-63)(35-40)(35-50)(36-37)(36-60)(37-51)(38-53)(39-54)(40-62)(41-46)(41-61)(42-43)(42-49)(43-52)(44-45)(44-53)(45-54)(46-56)(47-48)(47-55)(48-64)(49-65)(50-70)(50-76)(51-69)(51-71)(52-66)(53-67)(54-72)(55-73)(55-74)(56-68)(56-75)(57-81)(58-82)(59-83)(60-77)(61-79)(62-80)(63-86)(64-84)(65-66)(65-81)(66-82)(67-72)(67-83)(68-73)(68-78)(69-76)(69-77)(70-71)(70-78)(71-85)(72-86)(73-85)(74-75)(74-84)(75-79)(76-80)(81-87)(82-87)(83-87)(84-87)(85-87)(86-87)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278011— 10.1002/cbic.201000782 2011
A2780-CP7020— 10.1002/cbic.201000782 2011
MCF-736— 10.1002/cbic.201000782 2011
H35844— 10.1002/cmdc.201700240 2017
MCF-750— 10.1002/cmdc.201700240 2017
CCL22850— 10.1002/cmdc.201700240 2017
MCF-10A50— 10.1002/cmdc.201700240 2017

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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