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Complex #3371 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID3371
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation4
SMILESCOc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H30N8ORu/(1-54)(2-57)(3-37)(4-33)(5-55)(6-31)(7-50)(8-56)(9-34)(10-32)(11-38)(12-35)(13-43)(14-69)(15-69)(16-69)(17-42)(18-58)(19-44)(20-46)(21-40)(22-36)(23-59)(24-41)(25-39)(26-45)(27-48)(28-47)(29-49)(30-72)(31-33)(31-54)(32-33)(32-60)(34-36)(34-55)(35-48)(35-56)(36-40)(37-39)(37-42)(38-50)(38-57)(39-51)(40-61)(41-44)(41-52)(42-43)(43-70)(44-58)(45-48)(45-62)(46-49)(46-59)(47-49)(47-65)(50-53)(51-68)(51-70)(52-66)(52-67)(53-63)(53-64)(54-73)(55-74)(56-75)(57-71)(58-78)(59-77)(60-61)(60-73)(61-74)(62-65)(62-75)(63-66)(63-71)(64-67)(64-72)(65-77)(66-78)(67-76)(68-72)(68-76)(69-79)(70-79)(73-80)(74-80)(75-80)(76-80)(77-80)(78-80)(79-80)

Measurements (10)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG2 10.1016/j.ejmech.2018.12.041 2019
A549 10.1016/j.ejmech.2018.12.041 2019
MDA-MB-231 10.1016/j.ejmech.2018.12.041 2019
CNE-1 10.1016/j.ejmech.2018.12.041 2019
HaCaT 10.1016/j.ejmech.2018.12.041 2019
BEL-7402 10.1002/chir.21980 2011
A549 10.1002/chir.21980 2011
CNE-2Z 10.1002/chir.21980 2011
K-562 10.1002/chir.21980 2011
Hs68 10.1002/chir.21980 2011

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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