Info
| ID | 364 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 3a |
| SMILES | [c-]1cccc2c1c1ncccc1c1nc3ccccc3nc21.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C39H26N7Ru/(1-31)(2-48)(3-34)(4-37)(5-28)(6-29)(7-52)(8-54)(9-41)(10-55)(11-35)(12-46)(13-47)(14-36)(15-38)(16-40)(17-42)(18-56)(19-32)(20-53)(21-44)(22-39)(23-43)(24-45)(25-30)(26-33)(27-30)(27-50)(28-29)(28-37)(29-57)(30-33)(31-48)(31-53)(32-33)(32-51)(34-47)(34-61)(35-36)(35-58)(36-41)(37-52)(38-40)(38-59)(39-46)(39-64)(40-42)(41-54)(42-55)(43-45)(43-62)(44-45)(44-56)(46-47)(48-49)(49-63)(49-65)(50-51)(50-65)(51-60)(52-67)(53-71)(54-68)(55-69)(56-70)(57-58)(57-67)(58-68)(59-62)(59-69)(60-63)(60-66)(61-64)(61-72)(62-70)(63-72)(64-66)(65-71)(67-73)(68-73)(69-73)(70-73)(71-73)(72-73)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| KATO III | 0.41 | 0.35 | 10.1016/j.jinorgbio.2020.11108... | 2020 |
| AGS | 1.3 | 0.75 | 10.1016/j.jinorgbio.2020.11108... | 2020 |
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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