Info
| ID | 6249 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 3} |
| Abbreviation | 3 |
| SMILES | COc1ccc2c(c1)c(CC(=O)OCCCn1[c-][n+](-c3ccccn3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.[Br-].[C-]#[O+].[C-]#[O+].[C-]#[O+] |
TUCAN
C33H27ClN4O7Re/(1-35)(2-44)(3-56)(4-55)(5-55)(6-55)(7-45)(8-33)(9-39)(10-28)(11-40)(12-28)(13-40)(14-39)(15-29)(16-34)(17-38)(18-56)(19-30)(20-46)(21-37)(22-28)(23-36)(24-47)(25-31)(26-47)(27-32)(28-48)(29-30)(29-60)(30-41)(31-32)(31-41)(32-60)(33-35)(33-44)(34-43)(34-57)(35-36)(36-51)(37-38)(37-57)(38-49)(39-42)(39-59)(40-47)(40-56)(41-58)(42-43)(42-48)(43-49)(44-64)(45-46)(45-62)(46-63)(47-62)(48-61)(49-61)(50-62)(50-63)(51-63)(51-64)(52-65)(53-67)(54-68)(55-70)(56-71)(57-70)(58-61)(58-66)(59-69)(59-71)(60-72)(64-73)(70-73)(71-73)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HPAF-II | 6 | — | 10.1002/chem.201701208 | 2017 |
| CFPAC | 6 | — | 10.1002/chem.201701208 | 2017 |
| AsPC-1 | 7.9 | — | 10.1002/chem.201701208 | 2017 |
| HEK293T | 12 | — | 10.1002/chem.201701208 | 2017 |
🧬 Cell Death Types (1)
Apoptosis
high
«compound 4a induced cell apoptosis as confirmed using a different assay (Caspase-Glo® 3/7 Assay System)»
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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