Info
| ID | 4161 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru1 |
| SMILES | Cc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C40H30N8ORu/(1-43)(2-55)(3-32)(4-56)(5-35)(6-33)(7-37)(8-42)(9-34)(10-36)(11-50)(12-48)(13-31)(14-38)(15-60)(16-59)(17-57)(18-41)(19-40)(20-58)(21-31)(22-31)(23-49)(24-39)(25-46)(26-47)(27-44)(28-45)(29-72)(30-79)(31-51)(32-35)(32-64)(33-35)(33-55)(34-40)(34-56)(36-46)(36-57)(37-40)(37-65)(38-48)(38-51)(39-49)(39-53)(41-46)(41-67)(42-43)(42-52)(43-60)(44-47)(44-68)(45-47)(45-58)(48-70)(49-59)(50-51)(50-54)(52-62)(52-63)(53-61)(53-66)(54-69)(54-70)(55-73)(56-74)(57-75)(58-77)(59-78)(60-71)(61-63)(61-76)(62-66)(62-71)(63-72)(64-68)(64-73)(65-67)(65-74)(66-78)(67-75)(68-77)(69-72)(69-76)(70-79)(73-80)(74-80)(75-80)(76-80)(77-80)(78-80)(79-80)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 29 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| HepG2 | 32 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| A549 | 36 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| CNE-1 | 39 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| LO2 | 1.3e+02 | — | 10.1016/j.jinorgbio.2018.11.01... | 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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