Info
| ID | 6376 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"O": 3, "N": 4} |
| Abbreviation | ReL5 |
| SMILES | [C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].c1ccc(-c2ccc(-c3ccc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cc3)cc2)cc1 |
TUCAN
C34H20N4O3Re/(1-29)(2-25)(3-26)(4-24)(5-46)(6-23)(7-32)(8-45)(9-22)(10-30)(11-37)(12-33)(13-27)(14-21)(15-35)(16-36)(17-31)(18-28)(19-34)(20-56)(21-30)(21-39)(22-23)(22-43)(23-40)(24-25)(24-44)(25-31)(26-29)(26-46)(27-28)(27-41)(28-42)(29-38)(30-45)(31-37)(32-37)(32-44)(33-36)(33-43)(34-35)(34-42)(35-41)(36-40)(38-49)(38-50)(39-47)(39-48)(40-44)(41-43)(42-51)(45-57)(46-55)(47-49)(47-58)(48-50)(48-57)(49-56)(50-55)(51-56)(51-58)(52-59)(53-60)(54-61)(57-62)(58-62)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 66 | 18 | 10.1002/chem.202401720 | 2024 |
| MRC-5 | 96 | 95 | 10.1002/chem.202401720 | 2024 |
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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