Info
| ID | 6144 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 5, "O": 3} |
| Abbreviation | 5 |
| SMILES | CCN(CC)CCN(CCN(CC)CC)Cc1cccc(-c2ccccn2)n1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+] |
TUCAN
C26H37N5O3Re/(1-51)(2-49)(3-48)(4-38)(5-50)(6-38)(7-38)(8-39)(9-49)(10-42)(11-39)(12-50)(13-39)(14-40)(15-56)(16-56)(17-53)(18-51)(19-54)(20-47)(21-46)(22-53)(23-52)(24-52)(25-54)(26-40)(27-40)(28-55)(29-55)(30-57)(31-57)(32-41)(33-41)(34-41)(35-43)(36-44)(37-45)(38-49)(39-54)(40-55)(41-57)(42-43)(42-48)(43-44)(44-58)(45-47)(45-59)(46-47)(46-60)(48-67)(49-64)(50-51)(50-64)(51-65)(52-53)(52-65)(53-66)(54-64)(55-66)(56-60)(56-65)(57-66)(58-59)(58-67)(59-68)(60-68)(61-69)(62-70)(63-71)(67-72)(68-72)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 50 | — | 10.1016/j.ejmech.2020.112583 | 2020 |
| A549 | 75 | — | 10.1016/j.ejmech.2020.112583 | 2020 |
| HeLa | 1.4e+02 | — | 10.1016/j.ejmech.2020.112583 | 2020 |
| MRC-5 | 1.9e+02 | — | 10.1016/j.ejmech.2020.112583 | 2020 |
| MIA PaCa-2 | 2e+02 | — | 10.1016/j.ejmech.2020.112583 | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.