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Complex #4326 — Ru(2) [RuP2P]

2D Structure

Structure
⬇ MOL V3000

Info

ID4326
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 3}
AbbreviationRuP2P
SMILESCc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)N1CCOCC1.[Cl-]

TUCAN

C32H33N3ORuS/(1-39)(2-40)(3-34)(4-35)(5-42)(6-35)(7-34)(8-61)(9-63)(10-63)(11-64)(12-38)(13-45)(14-60)(15-49)(16-37)(17-48)(18-64)(19-44)(20-61)(21-62)(22-62)(23-46)(24-41)(25-35)(26-36)(27-59)(28-43)(29-34)(30-47)(31-36)(32-36)(33-67)(34-51)(35-59)(36-59)(37-39)(37-57)(38-40)(38-55)(39-50)(40-45)(41-42)(41-51)(42-52)(43-47)(43-52)(44-46)(44-54)(45-50)(46-55)(47-51)(48-49)(48-57)(49-58)(50-53)(52-59)(53-55)(53-56)(54-56)(54-58)(56-57)(58-60)(60-68)(61-64)(61-66)(62-63)(62-66)(63-69)(64-69)(65-66)(65-67)(65-70)(67-68)(68-71)(69-71)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-23110— 10.1021/acs.organomet.3c00394 2024
HeLa21— 10.1021/acs.organomet.3c00394 2024
A54926— 10.1021/acs.organomet.3c00394 2024
MCF-10A98— 10.1021/acs.organomet.3c00394 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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