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Complex #1087 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1087
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
Abbreviation1
SMILESClc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.[Cl-].c1cnc2c(c1)ccc1cccnc12

TUCAN

C33H22ClN5Ru/(1-45)(2-46)(3-30)(4-25)(5-48)(6-47)(7-26)(8-23)(9-34)(10-38)(11-27)(12-28)(13-36)(14-35)(15-29)(16-24)(17-40)(18-39)(19-32)(20-33)(21-31)(22-37)(23-27)(23-45)(24-29)(24-46)(25-30)(25-44)(26-37)(26-41)(27-41)(28-43)(28-49)(29-42)(30-55)(31-35)(31-51)(32-36)(32-44)(33-40)(33-50)(34-35)(34-48)(36-55)(37-42)(38-40)(38-47)(39-43)(39-54)(41-52)(42-53)(43-44)(45-57)(46-58)(47-59)(48-56)(49-51)(49-60)(50-54)(50-59)(51-56)(52-53)(52-57)(53-58)(54-60)(55-61)(57-62)(58-62)(59-62)(60-62)

Measurements (15)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5494.6— 10.1007/s00775-017-1479-7 2017
A5499.5— 10.1007/s00775-017-1479-7 2017
MCF-714— 10.1007/s00775-017-1479-7 2017
MCF-723— 10.1007/s00775-017-1479-7 2017
A54955— 10.1007/s00775-017-1479-7 2017
HeLa76— 10.1007/s00775-017-1479-7 2017
MCF-71e+02— 10.1007/s00775-017-1479-7 2017
HeLa1.2e+02— 10.1007/s00775-017-1479-7 2017
Hs294T1.8e+02— 10.1007/s00775-017-1479-7 2017
MRC-51.9e+02— 10.1007/s00775-017-1479-7 2017
HeLa2.1e+02— 10.1007/s00775-017-1479-7 2017
Hs294T2.5e+02— 10.1007/s00775-017-1479-7 2017
Hs294T—— 10.1007/s00775-017-1479-7 2017
MRC-5—— 10.1007/s00775-017-1479-7 2017
MRC-5—— 10.1007/s00775-017-1479-7 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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