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Complex #2979 — Ru(2) [7a]

2D Structure

Structure
⬇ MOL V3000

Info

ID2979
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
Abbreviation7a
SMILESCc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2cn(CCCCOc3ccccc3-c3nc4ccccc4s3)nn2)nc1

TUCAN

C34H35N5ORuS/(1-51)(2-50)(3-61)(4-59)(5-37)(6-37)(7-43)(8-54)(9-55)(10-62)(11-41)(12-54)(13-66)(14-45)(15-66)(16-52)(17-47)(18-39)(19-55)(20-40)(21-60)(22-48)(23-46)(24-49)(25-62)(26-37)(27-36)(28-38)(29-44)(30-36)(31-38)(32-38)(33-36)(34-42)(35-53)(36-56)(37-59)(38-59)(39-41)(39-48)(40-47)(40-67)(41-63)(42-43)(42-56)(43-57)(44-53)(44-57)(45-48)(45-68)(46-49)(46-58)(47-49)(50-51)(50-52)(51-60)(52-65)(53-56)(54-55)(54-62)(55-66)(57-59)(58-67)(58-69)(60-70)(61-64)(61-72)(62-72)(63-68)(63-73)(64-65)(64-71)(65-70)(66-75)(67-75)(68-76)(69-73)(69-76)(71-74)(72-74)(73-77)(74-77)(75-77)(76-77)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa7.7— 10.1039/d4dt00245h 2024
MCF-77.8— 10.1039/d4dt00245h 2024
U-87 MG63— 10.1039/d4dt00245h 2024
HEK29386— 10.1039/d4dt00245h 2024

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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