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Complex #4584 — Ru(2) [Ru1]

2D Structure

Structure
⬇ MOL V3000

Info

ID4584
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu1
SMILESc1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)[nH]c1cnccc12.c1ccc2c(c1)[nH]c1cnccc12

TUCAN

C48H35N9Ru/(1-67)(2-46)(3-53)(4-66)(5-72)(6-73)(7-38)(8-36)(9-40)(10-41)(11-48)(12-68)(13-56)(14-37)(15-70)(16-71)(17-47)(18-49)(19-69)(20-44)(21-57)(22-54)(23-55)(24-39)(25-52)(26-59)(27-42)(28-45)(29-51)(30-43)(31-58)(32-50)(33-85)(34-86)(35-87)(36-46)(36-62)(37-47)(37-63)(38-60)(38-66)(39-50)(39-69)(40-41)(40-48)(41-75)(42-61)(42-72)(43-64)(43-73)(44-53)(44-77)(45-54)(45-78)(46-53)(47-54)(48-80)(49-55)(49-82)(50-56)(51-59)(51-81)(52-57)(52-65)(55-58)(56-83)(57-59)(58-68)(60-62)(60-74)(61-63)(61-76)(62-77)(63-78)(64-65)(64-79)(65-81)(66-88)(67-74)(67-88)(68-84)(69-92)(70-76)(70-90)(71-79)(71-91)(72-90)(73-91)(74-85)(75-83)(75-89)(76-86)(77-85)(78-86)(79-87)(80-82)(80-89)(81-87)(82-84)(83-92)(88-93)(89-93)(90-93)(91-93)(92-93)

Measurements (10)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa0.68— 10.1016/j.biochi.2013.07.016 2013
HepG20.9— 10.1016/j.biochi.2013.07.016 2013
BEL-74020.97— 10.1016/j.biochi.2013.07.016 2013
NCI-H4601.6— 10.1016/j.biochi.2013.07.016 2013
A5491.9— 10.1016/j.biochi.2013.07.016 2013
MCF-71.9— 10.1016/j.biochi.2013.07.016 2013
HCT-1166— 10.1016/j.biochi.2013.07.016 2013
MCF-10A46— 10.1016/j.biochi.2013.07.016 2013
HEK29352— 10.1016/j.biochi.2013.07.016 2013
LO257— 10.1016/j.biochi.2013.07.016 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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