Info
| ID | 4236 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 4, "O": 1, "P": 1} |
| Abbreviation | 6 |
| SMILES | NC1N=C(S)N=C(O)C1/N=C/c1c([O-])cccc1Br.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C29H25BrN4O2PRuS/(1-28)(2-26)(3-30)(4-27)(5-32)(6-29)(7-36)(8-31)(9-38)(10-39)(11-37)(12-47)(13-46)(14-43)(15-33)(16-34)(17-35)(18-42)(19-40)(20-45)(21-41)(22-55)(23-55)(24-60)(25-62)(26-28)(26-50)(27-30)(27-50)(28-29)(29-30)(31-32)(31-51)(32-38)(33-36)(33-51)(34-37)(34-52)(35-40)(35-52)(36-38)(37-39)(39-40)(41-43)(41-54)(42-43)(42-48)(44-45)(44-48)(44-54)(45-56)(46-47)(46-49)(46-56)(47-55)(47-57)(48-59)(49-58)(49-60)(50-61)(51-61)(52-61)(53-57)(53-58)(53-62)(54-63)(57-64)(58-64)(60-64)(61-64)(62-64)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 72 | — | 10.1002/aoc.3760 | 2017 |
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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