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Complex #870 — Ru(2) [RuL1]

2D Structure

Structure
⬇ MOL V3000

Info

ID870
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3}
AbbreviationRuL1
SMILESCc1ccc(C(C)C)cc1.Nc1nc2ccccc2s1.O=Cc1ccccn1.[Cl-]

TUCAN

C23H25N3ORuS/(1-29)(2-30)(3-42)(4-27)(5-31)(6-26)(7-46)(8-33)(9-39)(10-35)(11-43)(12-36)(13-27)(14-26)(15-27)(16-37)(17-34)(18-38)(19-32)(20-28)(21-26)(22-28)(23-28)(24-49)(25-49)(26-40)(27-42)(28-42)(29-35)(29-47)(30-31)(30-40)(31-41)(32-36)(32-41)(33-37)(33-38)(34-39)(34-44)(35-39)(36-40)(37-43)(38-45)(41-42)(43-51)(44-47)(44-50)(45-46)(45-51)(46-52)(47-53)(48-49)(48-50)(48-53)(50-54)(51-54)(53-54)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-712 10.1039/d0nj04137h 2021
HeLa12 10.1039/d0nj04137h 2021
HEK2931.1e+02 10.1039/d0nj04137h 2021

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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