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Complex #1090 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID1090
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESFc1c(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(F)c1F.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C39H23F5N8Ru/(1-43)(2-44)(3-24)(4-25)(5-33)(6-28)(7-26)(8-45)(9-27)(10-39)(11-29)(12-32)(13-30)(14-36)(15-46)(16-31)(17-35)(18-38)(19-48)(20-37)(21-34)(22-47)(23-64)(24-25)(24-28)(25-49)(26-29)(26-31)(27-30)(27-32)(28-43)(29-50)(30-44)(31-45)(32-51)(33-39)(33-42)(34-37)(34-54)(35-36)(35-48)(36-40)(37-38)(38-46)(39-47)(40-52)(40-53)(41-57)(41-58)(41-61)(42-55)(42-56)(43-65)(44-67)(45-68)(46-69)(47-66)(48-63)(49-50)(49-65)(50-68)(51-54)(51-67)(52-56)(52-63)(53-55)(53-64)(54-69)(55-70)(56-66)(57-64)(57-70)(58-59)(58-72)(59-62)(59-71)(60-61)(60-62)(60-74)(61-73)(62-75)(65-76)(66-76)(67-76)(68-76)(69-76)(70-76)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-7402 10.1016/j.jinorgbio.2017.04.02... 2017
A549 10.1016/j.jinorgbio.2017.04.02... 2017
HeLa 10.1016/j.jinorgbio.2017.04.02... 2017
HepG2 10.1016/j.jinorgbio.2017.04.02... 2017
MG-63 10.1016/j.jinorgbio.2017.04.02... 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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