Info
| ID | 6308 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 3} |
| Abbreviation | 5cRe |
| SMILES | FC(F)(F)c1cc(OCCO/N=C/Cc2ccccn2)c2cc(Br)ccc2n1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-] |
TUCAN
C22H15BrF3N3O5Re/(1-23)(2-23)(3-34)(4-26)(5-25)(6-22)(7-21)(8-17)(9-18)(10-34)(11-16)(12-33)(13-19)(14-33)(15-20)(16-19)(16-27)(17-18)(17-29)(18-21)(19-37)(20-24)(20-37)(21-25)(22-28)(22-35)(23-26)(23-29)(24-27)(24-35)(25-39)(26-40)(27-38)(28-36)(28-38)(29-39)(30-41)(31-42)(32-43)(33-34)(33-44)(34-45)(35-44)(36-46)(36-47)(36-48)(37-49)(39-50)(40-45)(40-50)(44-50)(45-50)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| THP-1 | 11 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| HuT78 | 11 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| BJ | 21 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| HeLa | 22 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| Caco-2 | 31 | — | 10.1016/j.jinorgbio.2024.11277... | 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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