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Complex #1487 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1487
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C51H33N9O2Ru/(1-67)(2-52)(3-42)(4-51)(5-49)(6-68)(7-69)(8-57)(9-36)(10-43)(11-34)(12-37)(13-40)(14-39)(15-50)(16-41)(17-70)(18-44)(19-58)(20-59)(21-71)(22-35)(23-38)(24-46)(25-47)(26-72)(27-53)(28-45)(29-54)(30-56)(31-48)(32-55)(33-86)(34-44)(34-60)(35-37)(35-73)(36-37)(36-67)(38-40)(38-75)(39-48)(39-68)(40-56)(41-43)(41-51)(42-58)(42-65)(43-61)(44-71)(45-50)(45-72)(46-48)(46-76)(47-55)(47-77)(49-52)(49-57)(50-66)(51-65)(52-64)(53-64)(53-80)(54-55)(54-69)(56-70)(57-80)(58-59)(59-63)(60-74)(60-78)(61-62)(61-83)(62-63)(62-65)(63-84)(64-82)(66-79)(66-81)(67-88)(68-89)(69-90)(70-91)(71-85)(72-93)(73-75)(73-88)(74-79)(74-86)(75-91)(76-77)(76-89)(77-90)(78-81)(78-85)(79-92)(80-87)(81-93)(82-86)(82-92)(83-87)(83-94)(84-87)(84-95)(88-96)(89-96)(90-96)(91-96)(92-96)(93-96)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-790118— 10.1016/j.inoche.2016.06.020 2016
PC-1234— 10.1016/j.inoche.2016.06.020 2016
SiHa40— 10.1016/j.inoche.2016.06.020 2016
EC10974— 10.1016/j.inoche.2016.06.020 2016
HepG291— 10.1016/j.inoche.2016.06.020 2016
HeLa—— 10.1016/j.inoche.2016.06.020 2016
LO2—— 10.1016/j.inoche.2016.06.020 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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