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Complex #242 — Ru(2) [C2]

2D Structure

Structure
⬇ MOL V3000

Info

ID242
MetalRu
Oxidation state2
Charge1
Donor atoms{"O": 1, "P": 1}
AbbreviationC2
SMILESCc1ccc(C(C)C)cc1.O=C1c2ccccc2C(=O)c2c1ccc(O)c2[O-].c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C42H36O4PRu/(1-42)(2-38)(3-46)(4-47)(5-38)(6-53)(7-43)(8-54)(9-64)(10-41)(11-45)(12-51)(13-55)(14-52)(15-49)(16-56)(17-50)(18-37)(19-63)(20-59)(21-60)(22-57)(23-44)(24-40)(25-58)(26-61)(27-62)(28-37)(29-38)(30-39)(31-37)(32-39)(33-71)(34-48)(35-39)(36-82)(37-65)(38-71)(39-71)(40-44)(40-69)(41-42)(41-53)(42-76)(43-45)(43-76)(44-72)(45-53)(46-47)(46-65)(47-67)(48-63)(48-67)(49-51)(49-77)(50-52)(50-77)(51-55)(52-55)(54-64)(54-68)(56-59)(56-60)(57-59)(57-78)(58-60)(58-78)(61-62)(61-70)(62-64)(63-65)(66-69)(66-74)(66-75)(67-71)(68-70)(68-73)(69-73)(70-75)(72-74)(72-82)(73-79)(74-80)(75-81)(76-83)(77-83)(78-83)(82-84)(83-84)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-2316.5 10.1021/acs.inorgchem.3c00183 2023
MRC-57.7 10.1021/acs.inorgchem.3c00183 2023
MCF-79 10.1021/acs.inorgchem.3c00183 2023
MCF-10A10 10.1021/acs.inorgchem.3c00183 2023
A54918 10.1021/acs.inorgchem.3c00183 2023

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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