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Complex #2681 — Ru(2) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID2681
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation5
SMILESC1=CC2CC1CC2c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1ccc2ccc3ccc(C)nc3c2n1.Cc1ccc2ccc3ccc(C)nc3c2n1

TUCAN

C48H40N8Ru/(1-47)(2-45)(3-46)(4-41)(5-41)(6-41)(7-48)(8-49)(9-42)(10-52)(11-75)(12-63)(13-63)(14-60)(15-54)(16-71)(17-74)(18-61)(19-50)(20-55)(21-62)(22-57)(23-42)(24-42)(25-51)(26-43)(27-43)(28-43)(29-44)(30-64)(31-72)(32-53)(33-44)(34-56)(35-44)(36-58)(37-59)(38-64)(39-73)(40-90)(41-77)(42-81)(43-84)(44-85)(45-46)(45-65)(46-77)(47-48)(47-65)(48-66)(49-53)(49-66)(50-55)(50-67)(51-56)(51-68)(52-57)(52-68)(53-81)(54-60)(54-69)(55-74)(56-84)(57-70)(58-59)(58-70)(59-85)(60-75)(61-62)(61-73)(62-72)(63-71)(63-72)(64-72)(64-73)(65-76)(66-78)(67-80)(67-87)(68-79)(69-82)(69-83)(70-86)(71-73)(71-88)(74-89)(75-94)(76-78)(76-91)(77-91)(78-92)(79-86)(79-93)(80-82)(80-90)(81-92)(82-95)(83-87)(83-94)(84-93)(85-96)(86-96)(87-89)(88-90)(88-95)(91-97)(92-97)(93-97)(94-97)(95-97)(96-97)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HepG21.5 10.1007/s11243-018-0264-y 2018
SGC-79015 10.1007/s11243-018-0264-y 2018
A5496.1 10.1007/s11243-018-0264-y 2018
BEL-74029.1 10.1007/s11243-018-0264-y 2018
PC-1228 10.1007/s11243-018-0264-y 2018
HeLa65 10.1007/s11243-018-0264-y 2018
SiHa76 10.1007/s11243-018-0264-y 2018

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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