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Complex #3776 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID3776
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
Abbreviation1
SMILESO=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccn3)[nH]c21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H27N7O2Ru/(1-53)(2-28)(3-57)(4-39)(5-36)(6-29)(7-54)(8-31)(9-37)(10-30)(11-35)(12-33)(13-48)(14-41)(15-34)(16-40)(17-55)(18-43)(19-45)(20-56)(21-42)(22-38)(23-46)(24-32)(25-47)(26-44)(27-68)(28-29)(28-53)(29-31)(30-33)(30-54)(31-59)(32-46)(32-55)(33-37)(34-35)(34-40)(35-57)(36-39)(36-49)(37-60)(38-42)(38-50)(39-41)(40-62)(41-48)(42-58)(43-46)(43-61)(44-47)(44-56)(45-47)(45-64)(48-51)(49-51)(49-67)(50-52)(50-66)(51-66)(52-63)(52-67)(53-69)(54-70)(55-71)(56-72)(57-74)(58-63)(58-73)(59-60)(59-69)(60-70)(61-64)(61-71)(62-65)(62-74)(63-68)(64-72)(65-68)(65-73)(66-75)(67-76)(69-77)(70-77)(71-77)(72-77)(73-77)(74-77)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa50— 10.1039/c3mt20270d 2013
HepG276— 10.1039/c3mt20270d 2013
BEL-74021e+02— 10.1039/c3mt20270d 2013
A5491.2e+02— 10.1039/c3mt20270d 2013
LO21.8e+02— 10.1039/c3mt20270d 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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