Info
| ID | 6605 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 5 |
| SMILES | Cc1ccc(C(C)C)cc1.[NH-][C@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1ccccc1)c1ccccc1 |
TUCAN
C30H32N2O2OsS/(1-41)(2-50)(3-44)(4-34)(5-34)(6-34)(7-35)(8-39)(9-49)(10-60)(11-48)(12-36)(13-46)(14-37)(15-38)(16-45)(17-51)(18-53)(19-47)(20-54)(21-61)(22-40)(23-52)(24-33)(25-42)(26-35)(27-33)(28-35)(29-59)(30-33)(31-43)(32-63)(33-55)(34-59)(35-59)(36-38)(36-39)(37-38)(37-46)(39-57)(40-42)(40-55)(41-50)(41-51)(42-56)(43-52)(43-56)(44-45)(44-49)(45-62)(46-57)(47-48)(47-62)(48-49)(50-58)(51-53)(52-55)(53-54)(54-58)(56-59)(57-60)(58-61)(60-61)(60-64)(61-63)(62-67)(63-68)(64-67)(64-68)(65-67)(66-67)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 14 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HOF | 20 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A2780cisR | 21 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A549 | 26 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| MRC-5 | 31 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116 | 49 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116Ox | 52 | — | 10.1021/acs.jmedchem.8b00958 | 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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