Info
| ID | 6310 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 3} |
| Abbreviation | 5eRe |
| SMILES | COc1ccc2nc(C(F)(F)F)cc(OCCO/N=C/Cc3ccccn3)c2c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-] |
TUCAN
C23H18F3N3O6Re/(1-37)(2-38)(3-36)(4-19)(5-36)(6-26)(7-29)(8-37)(9-38)(10-22)(11-36)(12-26)(13-23)(14-21)(15-24)(16-28)(17-25)(18-20)(19-22)(19-30)(20-22)(20-28)(21-27)(21-40)(23-31)(23-39)(24-25)(24-32)(25-40)(26-29)(26-30)(27-32)(27-39)(28-42)(29-44)(30-42)(31-41)(31-43)(32-43)(33-45)(34-46)(35-47)(36-49)(37-38)(37-48)(38-50)(39-48)(40-49)(41-51)(41-52)(41-53)(43-54)(44-50)(44-54)(48-54)(49-54)(50-54)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HuT78 | 9.4 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| HeLa | 28 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| Caco-2 | 29 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| THP-1 | 36 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| BJ | 54 | — | 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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