Info
| ID | 2932 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 7, "S": 1} |
| Abbreviation | Ru1 |
| SMILES | COc1cc(/C=N\N=C(\N)[S-])c(Br)c(Br)c1OC.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C30H26Br2N7O2RuS/(1-28)(2-27)(3-29)(4-31)(5-30)(6-41)(7-42)(8-33)(9-51)(10-51)(11-51)(12-50)(13-45)(14-36)(15-43)(16-32)(17-34)(18-39)(19-50)(20-44)(21-35)(22-50)(23-37)(24-38)(25-57)(26-57)(27-28)(27-30)(28-46)(29-31)(29-34)(30-41)(31-47)(32-33)(32-48)(33-35)(34-42)(35-43)(36-40)(36-52)(37-38)(37-44)(38-39)(39-49)(40-45)(40-55)(41-58)(42-59)(43-60)(44-61)(45-62)(46-47)(46-58)(47-59)(48-49)(48-60)(49-61)(50-64)(51-65)(52-53)(52-65)(53-56)(53-64)(54-57)(54-63)(54-66)(55-56)(55-67)(56-68)(58-69)(59-69)(60-69)(61-69)(62-63)(62-69)(63-69)(64-69)(65-69)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 15 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HeLa | 20 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| HUVEC | 22 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| MDA-MB-231 | 26 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
| LO2 | 28 | — | 10.1021/acs.jmedchem.3c01156 | 2023 |
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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