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Complex #152 — Ru(2) [RuL3]

2D Structure

Structure
⬇ MOL V3000

Info

ID152
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 5}
AbbreviationRuL3
SMILESCc1ccc(C(C)C)cc1.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1

TUCAN

C31H27N5Ru/(1-28)(2-35)(3-29)(4-34)(5-28)(6-38)(7-37)(8-52)(9-42)(10-50)(11-41)(12-31)(13-33)(14-51)(15-40)(16-32)(17-28)(18-49)(19-29)(20-29)(21-36)(22-30)(23-30)(24-39)(25-30)(26-60)(27-61)(28-47)(29-49)(30-49)(31-38)(31-44)(32-33)(32-46)(33-50)(34-35)(34-47)(35-48)(36-39)(36-48)(37-40)(37-53)(38-52)(39-47)(40-42)(41-42)(41-43)(43-45)(43-53)(44-55)(44-56)(45-51)(45-58)(46-54)(46-57)(48-49)(50-63)(51-60)(52-59)(53-60)(54-55)(54-62)(55-61)(56-57)(56-59)(57-63)(58-61)(58-62)(62-64)(63-64)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Caco-234 10.1039/d0dt02069a 2020
HeLa47 10.1039/d0dt02069a 2020
MDA-MB-2311.1e+02 10.1039/c4mt00158c 2014
HaCaT1.1e+02 10.1039/c4mt00158c 2014
HK-22.1e+02 10.1039/c4mt00158c 2014
HEK293 10.1039/d0dt02069a 2020
MCF-7 10.1039/c4mt00158c 2014
MCF-10A 10.1039/c4mt00158c 2014

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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