Info
| ID | 6291 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 2, "P": 1, "O": 3} |
| Abbreviation | 7 |
| SMILES | O=C([N-]CP(=O)(c1ccccc1)c1ccccc1)C(=S)N1CCOCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+] |
TUCAN
C22H20N2O6PReS/(1-23)(2-36)(3-36)(4-31)(5-22)(6-24)(7-31)(8-41)(9-41)(10-37)(11-37)(12-26)(13-28)(14-21)(15-27)(16-30)(17-25)(18-32)(19-29)(20-32)(21-22)(21-26)(22-23)(23-39)(24-26)(24-39)(25-28)(25-40)(27-28)(27-30)(29-30)(29-40)(31-36)(31-43)(32-37)(32-43)(33-45)(34-46)(35-47)(36-50)(37-50)(38-42)(38-44)(38-48)(39-51)(40-51)(41-44)(41-51)(42-43)(42-52)(44-53)(49-51)(50-53)(51-53)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 16 | — | 10.1016/j.jorganchem.2020.1214... | 2020 |
| PC-3 | 18 | — | 10.1016/j.jorganchem.2020.1214... | 2020 |
| HEK293 | 24 | — | 10.1016/j.jorganchem.2020.1214... | 2020 |
| MCF-7 | 34 | — | 10.1016/j.jorganchem.2020.1214... | 2020 |
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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