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Complex #1539 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1539
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESc1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc2nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc2c1

TUCAN

C50H32N10Ru/(1-36)(2-42)(3-46)(4-35)(5-50)(6-47)(7-34)(8-40)(9-53)(10-54)(11-43)(12-39)(13-52)(14-63)(15-64)(16-51)(17-55)(18-57)(19-45)(20-44)(21-49)(22-67)(23-33)(24-37)(25-38)(26-48)(27-41)(28-66)(29-68)(30-65)(31-56)(32-58)(33-59)(33-72)(34-35)(34-71)(35-36)(36-63)(37-46)(37-74)(38-49)(38-73)(39-43)(39-60)(40-52)(40-75)(41-48)(41-61)(42-45)(42-46)(43-66)(44-47)(44-78)(45-77)(47-59)(48-65)(49-62)(50-62)(50-80)(51-52)(51-64)(53-57)(53-81)(54-58)(54-82)(55-57)(55-67)(56-58)(56-68)(59-62)(60-70)(60-79)(61-69)(61-76)(63-88)(64-90)(65-84)(66-85)(67-91)(68-92)(69-70)(69-87)(70-83)(71-75)(71-88)(72-78)(72-89)(73-80)(73-87)(74-77)(74-86)(75-90)(76-79)(76-84)(77-89)(78-86)(79-85)(80-83)(81-82)(81-91)(82-92)(87-93)(88-93)(89-93)(90-93)(91-93)(92-93)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
BEL-740229— 10.1007/s11243-019-00315-5 2019
HeLa54— 10.1007/s11243-019-00315-5 2019
SGC-790155— 10.1007/s11243-019-00315-5 2019
A549—— 10.1007/s11243-019-00315-5 2019
NIH-3T3—— 10.1007/s11243-019-00315-5 2019

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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