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Complex #1970 — Ru(2) [Ru4]

2D Structure

Structure
⬇ MOL V3000

Info

ID1970
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
AbbreviationRu4
SMILESc1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc2c(c1)[nH]c1cnccc12

TUCAN

C50H35N7Ru/(1-46)(2-45)(3-36)(4-50)(5-38)(6-59)(7-54)(8-60)(9-53)(10-75)(11-56)(12-51)(13-74)(14-48)(15-39)(16-37)(17-72)(18-42)(19-40)(20-49)(21-44)(22-47)(23-63)(24-77)(25-52)(26-55)(27-62)(28-73)(29-41)(30-58)(31-57)(32-76)(33-43)(34-61)(35-87)(36-37)(36-64)(37-48)(38-67)(38-72)(39-40)(39-64)(40-48)(41-59)(41-66)(42-58)(42-59)(43-56)(43-79)(44-49)(44-63)(45-50)(45-65)(46-69)(46-73)(47-57)(47-63)(49-68)(50-70)(51-54)(51-55)(52-61)(52-84)(53-56)(53-75)(54-74)(55-83)(57-68)(58-80)(60-61)(60-78)(62-71)(62-76)(64-69)(65-69)(65-81)(66-67)(66-80)(67-85)(68-71)(70-71)(70-82)(72-88)(73-89)(74-86)(75-91)(76-90)(77-85)(77-88)(78-79)(78-92)(79-91)(80-87)(81-82)(81-89)(82-90)(83-84)(83-86)(84-92)(85-87)(88-93)(89-93)(90-93)(91-93)(92-93)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A37515— 10.1016/j.ejmech.2013.09.051 2013
HCT-11628— 10.1016/j.ejmech.2013.09.051 2013
NCI-H46030— 10.1016/j.ejmech.2013.09.051 2013
A54932— 10.1016/j.ejmech.2013.09.051 2013
HeLa36— 10.1016/j.ejmech.2013.09.051 2013
HepG237— 10.1016/j.ejmech.2013.09.051 2013
MCF-741— 10.1016/j.ejmech.2013.09.051 2013
BEL-740246— 10.1016/j.ejmech.2013.09.051 2013

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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