Info
| ID | 1193 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru-2 |
| SMILES | COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.O.O |
TUCAN
C40H28N8O2Ru/(1-65)(2-34)(3-35)(4-51)(5-32)(6-30)(7-39)(8-54)(9-29)(10-41)(11-33)(12-52)(13-65)(14-65)(15-66)(16-31)(17-66)(18-43)(19-42)(20-38)(21-37)(22-36)(23-44)(24-53)(25-40)(26-66)(27-71)(28-72)(29-34)(29-45)(30-33)(30-46)(31-35)(31-45)(32-38)(32-47)(33-52)(34-67)(35-67)(36-39)(36-49)(37-42)(37-50)(38-51)(39-68)(40-43)(40-54)(41-44)(41-68)(42-53)(43-48)(44-49)(45-63)(46-57)(46-59)(47-55)(47-56)(48-60)(48-61)(49-64)(50-58)(50-62)(51-69)(52-74)(53-75)(54-70)(55-57)(55-71)(56-59)(56-69)(57-73)(58-60)(58-76)(59-74)(60-72)(61-62)(61-70)(62-75)(63-71)(63-73)(64-72)(64-76)(65-77)(66-78)(67-77)(68-78)(73-79)(74-79)(75-79)(76-79)(77-79)(78-79)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 5.6 | — | 10.1016/j.biomaterials.2018.12... | 2019 |
| CaSki | 6 | — | 10.1016/j.biomaterials.2018.12... | 2019 |
| MCF-7 | 7.4 | — | 10.1016/j.biomaterials.2018.12... | 2019 |
| Ect1/E6E7 | 8.3 | — | 10.1016/j.biomaterials.2018.12... | 2019 |
| SiHa | 11 | — | 10.1016/j.biomaterials.2018.12... | 2019 |
| LO2 | 12 | — | 10.1016/j.biomaterials.2018.12... | 2019 |
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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