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Complex #590 — Ru(2) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID590
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation2
SMILESCc1ccnc(-c2cc(-c3nc4cc5ccccc5cc4[nH]3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12

TUCAN

C46H32N8Ru/(1-53)(2-35)(3-37)(4-64)(5-67)(6-47)(7-55)(8-46)(9-52)(10-48)(11-68)(12-69)(13-49)(14-65)(15-54)(16-50)(17-36)(18-66)(19-41)(20-34)(21-45)(22-40)(23-33)(24-38)(25-39)(26-42)(27-51)(28-43)(29-44)(30-33)(31-33)(32-80)(33-59)(34-39)(34-56)(35-37)(35-56)(36-48)(36-57)(37-64)(38-44)(38-57)(39-58)(40-59)(40-65)(41-63)(41-66)(42-60)(42-72)(43-59)(43-74)(44-62)(45-49)(45-58)(46-55)(46-61)(47-52)(47-60)(48-67)(49-68)(50-51)(50-69)(51-62)(52-55)(53-61)(53-77)(54-63)(54-73)(56-70)(57-71)(58-75)(60-61)(62-76)(63-78)(64-81)(65-82)(66-79)(67-83)(68-84)(69-85)(70-75)(70-81)(71-76)(71-83)(72-77)(72-80)(73-74)(73-79)(74-82)(75-84)(76-85)(77-86)(78-80)(78-86)(81-87)(82-87)(83-87)(84-87)(85-87)(86-87)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A375900.12 10.3390/molecules27123676 2022
A549930.58 10.3390/molecules27123676 2022
HeLa0.67 10.3390/molecules27123676 2022

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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