Info
| ID | 3820 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 2, "N": 2} |
| Abbreviation | 6 |
| SMILES | CO.Cc1c(C)c(C)c(C)c(C)c1C.Cc1nn(-c2ccccc2)c([O-])c1C(=O)c1ccc(-c2ccccc2)cc1 |
TUCAN
C36H39N2O3Ru/(1-56)(2-49)(3-41)(4-47)(5-50)(6-40)(7-40)(8-40)(9-73)(10-73)(11-73)(12-59)(13-53)(14-54)(15-52)(16-55)(17-58)(18-51)(19-57)(20-60)(21-48)(22-41)(23-41)(24-42)(25-42)(26-42)(27-43)(28-43)(29-43)(30-44)(31-44)(32-44)(33-45)(34-45)(35-45)(36-46)(37-46)(38-46)(39-80)(40-71)(41-61)(42-62)(43-63)(44-64)(45-65)(46-66)(47-48)(47-50)(48-51)(49-56)(49-67)(50-72)(51-52)(52-72)(53-54)(53-57)(54-55)(55-60)(56-70)(57-68)(58-59)(58-70)(59-67)(60-68)(61-62)(61-63)(62-64)(63-65)(64-66)(65-66)(67-74)(68-70)(69-71)(69-74)(69-75)(71-77)(72-76)(73-80)(74-79)(75-76)(75-78)(76-77)(77-81)(80-81)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 24 | — | 10.1021/jm500458c | 2014 |
| HeLa | 25 | — | 10.1021/jm500458c | 2014 |
| HepG2 | 32 | — | 10.1021/jm500458c | 2014 |
| HCT-116 | 34 | — | 10.1021/jm500458c | 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.
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