Info
| ID | 1673 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 3, "P": 1} |
| Abbreviation | 2b |
| SMILES | Cc1ccc(C(C)C)cc1.NS(=O)(=O)c1ccc(NC(=S)c2ccccn2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C40H40N3O2PRuS2/(1-49)(2-42)(3-53)(4-42)(5-42)(6-46)(7-44)(8-51)(9-45)(10-55)(11-65)(12-47)(13-57)(14-48)(15-58)(16-50)(17-64)(18-41)(19-52)(20-68)(21-67)(22-66)(23-56)(24-62)(25-59)(26-60)(27-63)(28-61)(29-73)(30-41)(31-43)(32-43)(33-41)(34-72)(35-54)(36-69)(37-43)(38-82)(39-82)(40-81)(41-70)(42-72)(43-72)(44-45)(44-46)(45-51)(46-76)(47-51)(47-76)(48-57)(48-77)(49-50)(49-79)(50-75)(52-53)(52-70)(53-71)(54-69)(54-71)(55-57)(55-58)(56-58)(56-77)(59-60)(59-73)(60-61)(61-74)(62-64)(62-78)(63-66)(63-78)(64-65)(65-66)(67-68)(67-75)(68-79)(69-70)(71-72)(73-83)(74-80)(74-83)(75-81)(76-86)(77-86)(78-86)(79-88)(80-81)(80-87)(82-88)(83-89)(84-88)(85-88)(86-89)(88-89)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SiHa | 13 | — | 10.1016/j.ica.2022.120889 | 2022 |
| NCI-H460 | 19 | — | 10.1016/j.ica.2022.120889 | 2022 |
| HCT-116 | 30 | — | 10.1016/j.ica.2022.120889 | 2022 |
| SW480 | 30 | — | 10.1016/j.ica.2022.120889 | 2022 |
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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