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Complex #1699 — Ru(2) [RuF]

2D Structure

Structure
⬇ MOL V3000

Info

ID1699
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 7}
AbbreviationRuF
SMILESFc1cc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)cc(F)c1F.[c-]1ccccc1-c1ccccn1.c1ccc(-c2ccccn2)nc1

TUCAN

C46H29F3N7Ru/(1-59)(2-34)(3-32)(4-42)(5-31)(6-33)(7-46)(8-37)(9-40)(10-50)(11-60)(12-62)(13-43)(14-49)(15-35)(16-61)(17-52)(18-45)(19-63)(20-53)(21-36)(22-39)(23-44)(24-41)(25-54)(26-48)(27-47)(28-51)(29-38)(30-34)(30-57)(31-38)(31-46)(32-33)(32-35)(33-64)(34-37)(35-59)(36-37)(36-48)(38-69)(39-47)(39-61)(40-42)(40-45)(41-44)(41-63)(42-50)(43-56)(43-73)(44-55)(45-71)(46-60)(47-51)(48-57)(49-52)(49-62)(50-53)(51-70)(52-58)(53-71)(54-56)(54-75)(55-66)(55-68)(56-72)(57-69)(58-65)(58-67)(59-79)(60-78)(61-80)(62-81)(63-76)(64-70)(64-79)(65-68)(65-81)(66-67)(66-77)(67-82)(68-76)(69-78)(70-80)(71-77)(72-77)(72-82)(73-74)(73-83)(74-75)(74-84)(75-85)(78-86)(79-86)(80-86)(81-86)(82-86)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
NCI-H4602— 10.1039/c9cc00882a 2012
S12.1— 10.1039/c9cc00882a 2012
H460/MX202.4— 10.1039/c9cc00882a 2012
S1-M1-802.8— 10.1039/c9cc00882a 2012

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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