Info
| ID | 6602 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 2 |
| SMILES | CS(=O)(=O)[N-][C@H](c1ccccc1)[C@H]([NH-])c1ccccc1.Cc1ccc(C(C)C)cc1 |
TUCAN
C25H30N2O2OsS/(1-32)(2-34)(3-36)(4-32)(5-32)(6-33)(7-41)(8-31)(9-42)(10-33)(11-33)(12-35)(13-46)(14-40)(15-39)(16-37)(17-38)(18-44)(19-55)(20-55)(21-45)(22-53)(23-55)(24-31)(25-31)(26-52)(27-43)(28-47)(29-54)(30-56)(31-48)(32-52)(33-52)(34-36)(34-48)(35-41)(35-48)(36-50)(37-38)(37-39)(38-44)(39-51)(40-42)(40-49)(41-50)(42-46)(43-46)(43-47)(44-45)(45-51)(47-49)(49-53)(50-52)(51-54)(53-54)(53-56)(54-57)(55-60)(56-61)(57-60)(57-61)(58-60)(59-60)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MRC-5 | 26 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A2780 | 30 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A549 | 31 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A2780cisR | 39 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116Ox | 56 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116 | 67 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HOF | — | — | 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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