Info
| ID | 1517 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(C(F)(F)F)cc1.[Cl-] |
TUCAN
C26H24F3N3ORuS/(1-25)(2-30)(3-26)(4-25)(5-25)(6-49)(7-37)(8-28)(9-44)(10-35)(11-29)(12-33)(13-34)(14-36)(15-38)(16-26)(17-26)(18-27)(19-31)(20-43)(21-27)(22-27)(23-32)(24-51)(25-40)(26-43)(27-43)(28-37)(28-46)(29-33)(29-39)(30-31)(30-40)(31-41)(32-38)(32-41)(33-42)(34-36)(34-42)(35-37)(35-44)(36-39)(38-40)(39-47)(41-43)(42-48)(44-53)(45-46)(45-49)(45-52)(46-53)(47-51)(47-54)(48-55)(48-56)(48-57)(49-58)(50-51)(50-52)(50-58)(52-59)(53-59)(58-59)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 4.2 | — | 10.1002/aoc.4311 | 2018 |
| HeLa | 5.1 | — | 10.1002/aoc.4311 | 2018 |
| A549 | 13 | — | 10.1002/aoc.4311 | 2018 |
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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