Info
| ID | 2835 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 1} |
| Abbreviation | 2 |
| SMILES | Cc1ccc(C(C)C)cc1.NC(=S)N/N=C1\CC(S(=O)(=O)[O-])C(=O)c2ccccc21.[Cl-].[Cl-].[Na+] |
TUCAN
C21H24N3O4RuS2/(1-25)(2-30)(3-26)(4-29)(5-25)(6-32)(7-36)(8-33)(9-28)(10-34)(11-44)(12-36)(13-31)(14-26)(15-35)(16-26)(17-27)(18-27)(19-27)(20-25)(21-41)(22-46)(23-46)(24-47)(25-37)(26-41)(27-41)(28-32)(28-34)(29-30)(29-37)(30-38)(31-35)(31-38)(32-33)(33-39)(34-40)(35-37)(36-42)(36-44)(38-41)(39-40)(39-42)(40-43)(42-48)(43-44)(43-49)(44-54)(45-46)(45-47)(45-53)(47-48)(48-55)(50-54)(51-54)(52-54)(54-55)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PBMC+PHA | 40 | — | 10.2298/JSC0806619G | 2008 |
| PBMC-PHA | 61 | — | 10.2298/JSC0806619G | 2008 |
| MDA-MB-453 | 62 | — | 10.2298/JSC0806619G | 2008 |
| HeLa | 62 | — | 10.2298/JSC0806619G | 2008 |
| K-562 | 71 | — | 10.2298/JSC0806619G | 2008 |
| MDA-MB-361 | 1e+02 | — | 10.2298/JSC0806619G | 2008 |
| Fem-X | 1.5e+02 | — | 10.2298/JSC0806619G | 2008 |
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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