Info
| ID | 6311 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 2, "O": 3} |
| Abbreviation | 6aRe |
| SMILES | O=c1cc(OCCO/N=C/Cc2ccccn2)c2ccccc2o1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-] |
TUCAN
C21H16N2O7Re/(1-20)(2-23)(3-22)(4-21)(5-18)(6-34)(7-24)(8-34)(9-33)(10-19)(11-33)(12-27)(13-25)(14-25)(15-28)(16-17)(17-18)(17-35)(18-19)(19-20)(20-26)(21-22)(21-23)(22-29)(23-27)(24-36)(24-37)(25-28)(25-29)(26-35)(26-36)(27-38)(28-39)(29-38)(30-40)(31-41)(32-43)(33-34)(33-45)(34-46)(35-44)(36-45)(37-42)(37-44)(38-47)(39-46)(39-47)(44-47)(45-47)(46-47)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HuT78 | 40 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| THP-1 | 71 | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| HeLa | — | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| Caco-2 | — | — | 10.1016/j.jinorgbio.2024.11277... | 2024 |
| BJ | — | — | 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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