Info
| ID | 3161 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | 8 |
| SMILES | COc1ccc(/C([O-])=C/C(=O)c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C40H37N4O3Ru/(1-66)(2-43)(3-41)(4-67)(5-68)(6-42)(7-44)(8-69)(9-50)(10-38)(11-38)(12-38)(13-45)(14-39)(15-39)(16-39)(17-46)(18-52)(19-47)(20-48)(21-55)(22-54)(23-51)(24-56)(25-57)(26-53)(27-74)(28-40)(29-40)(30-60)(31-49)(32-58)(33-59)(34-74)(35-74)(36-61)(37-40)(38-65)(39-65)(40-65)(41-42)(41-70)(42-43)(43-66)(44-55)(44-67)(45-55)(45-71)(46-75)(46-77)(47-48)(47-63)(48-76)(49-52)(49-62)(50-57)(50-68)(51-53)(51-63)(52-64)(53-76)(54-58)(54-69)(56-57)(56-72)(58-59)(59-73)(60-61)(60-64)(61-62)(62-65)(63-75)(64-77)(66-78)(67-79)(68-80)(69-81)(70-71)(70-78)(71-79)(72-73)(72-80)(73-81)(74-84)(75-82)(76-84)(77-83)(78-85)(79-85)(80-85)(81-85)(84-85)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HL60 | 0.3 | 0.17 | 10.1002/ejic.202100468 | 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.
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