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Complex #1419 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1419
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESFc1cc2ccccc2cc1Oc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C48H31FN8ORu/(1-61)(2-39)(3-40)(4-62)(5-33)(6-46)(7-56)(8-32)(9-36)(10-63)(11-50)(12-42)(13-64)(14-34)(15-66)(16-47)(17-49)(18-65)(19-35)(20-37)(21-38)(22-44)(23-41)(24-55)(25-54)(26-51)(27-48)(28-45)(29-53)(30-43)(31-52)(32-33)(32-35)(33-61)(34-36)(34-62)(35-68)(36-37)(37-69)(38-43)(38-70)(39-40)(39-57)(40-47)(41-48)(41-65)(42-57)(42-77)(43-45)(44-52)(44-75)(45-63)(46-50)(46-78)(47-49)(48-58)(49-60)(50-72)(51-56)(51-59)(52-53)(53-64)(54-67)(54-78)(55-60)(55-79)(56-66)(57-60)(58-74)(58-76)(59-71)(59-73)(61-82)(62-83)(63-84)(64-85)(65-86)(66-81)(67-72)(67-80)(68-69)(68-82)(69-83)(70-75)(70-84)(71-74)(71-81)(72-87)(73-76)(73-80)(74-86)(75-85)(76-87)(77-79)(77-88)(78-88)(79-89)(82-90)(83-90)(84-90)(85-90)(86-90)(87-90)(88-90)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG210— 10.1016/j.jphotobiol.2016.10.0... 2016
BEL-740214— 10.1016/j.jphotobiol.2016.10.0... 2016
A54919— 10.1016/j.jphotobiol.2016.10.0... 2016
HOS20— 10.1016/j.jphotobiol.2016.10.0... 2016
HeLa26— 10.1016/j.jphotobiol.2016.10.0... 2016

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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