Info
| ID | 6753 |
| Metal | Rh |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 1, "F": 4} |
| Abbreviation | Rh3 |
| SMILES | CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1ccccn1.Cc1c(C)c(C)[c-](-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C.[Cl-] |
TUCAN
C35H36F6N2O3RhS/(1-47)(2-48)(3-39)(4-37)(5-37)(6-37)(7-39)(8-49)(9-66)(10-39)(11-65)(12-42)(13-63)(14-51)(15-40)(16-52)(17-40)(18-40)(19-41)(20-41)(21-41)(22-43)(23-43)(24-43)(25-42)(26-38)(27-38)(28-46)(29-42)(30-45)(31-50)(32-38)(33-44)(34-44)(35-64)(36-44)(37-54)(38-55)(39-58)(40-63)(41-63)(42-59)(43-64)(44-64)(45-56)(45-60)(46-56)(46-57)(47-48)(47-65)(48-49)(49-67)(50-57)(50-60)(51-61)(51-71)(52-62)(52-71)(53-54)(53-55)(53-57)(54-58)(55-59)(56-69)(58-59)(60-70)(61-63)(61-68)(62-64)(62-68)(65-72)(66-67)(66-73)(67-72)(68-73)(69-77)(69-78)(69-79)(70-80)(70-81)(70-82)(71-83)(72-84)(73-84)(74-83)(75-83)(76-83)(83-84)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 12 | — | 10.1016/j.bioorg.2021.105311 | 2021 |
| A549 | 26 | — | 10.1016/j.bioorg.2021.105311 | 2021 |
| BEAS-2B | 68 | — | 10.1016/j.bioorg.2021.105311 | 2021 |
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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