Info
| ID | 6314 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 2, "O": 3} |
| Abbreviation | 6dRe |
| SMILES | Cc1ccc2oc(=O)cc(OCCO/N=C/Cc3ccccn3)c2c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-] |
TUCAN
C22H18N2O7Re/(1-19)(2-20)(3-23)(4-19)(5-27)(6-31)(7-27)(8-30)(9-25)(10-19)(11-36)(12-26)(13-21)(14-24)(15-37)(16-37)(17-36)(18-22)(19-29)(20-23)(20-32)(21-23)(21-30)(22-28)(22-29)(24-26)(24-29)(25-39)(25-40)(26-38)(27-31)(27-32)(28-38)(28-39)(30-41)(31-42)(32-41)(33-43)(34-44)(35-46)(36-37)(36-47)(37-49)(38-48)(39-47)(40-45)(40-48)(41-50)(42-49)(42-50)(47-50)(48-50)(49-50)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HuT78 | 2.4 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| THP-1 | 16 | — | 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 | 32 | — | 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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