Info
| ID | 1100 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | (2) |
| SMILES | O=C1C=C([O-])C(=O)c2ccccc21.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C34H21N4O3Ru/(1-31)(2-32)(3-26)(4-28)(5-45)(6-33)(7-23)(8-24)(9-25)(10-27)(11-34)(12-30)(13-29)(14-35)(15-36)(16-46)(17-37)(18-47)(19-48)(20-38)(21-22)(22-23)(22-44)(23-30)(24-25)(24-39)(25-40)(26-31)(26-45)(27-34)(27-41)(28-32)(28-46)(29-30)(29-43)(31-39)(32-40)(33-35)(33-47)(34-42)(35-41)(36-37)(36-42)(37-48)(38-53)(38-55)(39-49)(40-50)(41-51)(42-52)(43-44)(43-54)(44-53)(45-56)(46-57)(47-58)(48-59)(49-50)(49-56)(50-57)(51-52)(51-58)(52-59)(53-60)(54-55)(54-62)(55-61)(56-63)(57-63)(58-63)(59-63)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| DU-145 | 37 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| HepG2 | 37 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| PC-3 | 49 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| MDA-MB-231 | 52 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| Caco-2 | 58 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| A549 | 69 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| HUVEC | 79 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
| FGH | 81 | — | 10.1016/j.bioorg.2019.02.010 | 2019 |
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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