Info
| ID | 6607 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 7 |
| SMILES | Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1 |
TUCAN
C33H30N2O2OsS/(1-38)(2-54)(3-33)(4-34)(5-32)(6-35)(7-49)(8-48)(9-52)(10-42)(11-40)(12-45)(13-50)(14-36)(15-51)(16-53)(17-39)(18-41)(19-55)(20-31)(21-31)(22-31)(23-37)(24-44)(25-47)(26-62)(27-43)(28-46)(29-61)(30-64)(31-58)(32-33)(32-56)(33-36)(34-35)(34-36)(35-56)(37-38)(37-58)(38-63)(39-40)(39-44)(40-43)(41-42)(41-60)(42-45)(43-47)(44-59)(45-53)(46-54)(46-58)(47-59)(48-49)(48-57)(49-51)(50-52)(50-57)(51-52)(53-55)(54-63)(55-60)(56-57)(59-62)(60-61)(61-62)(61-64)(62-65)(63-68)(64-69)(65-68)(65-69)(66-68)(67-68)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 6.5 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| MRC-5 | 15 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A549 | 22 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A2780cisR | 26 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116 | 26 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HOF | 44 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116Ox | 46 | — | 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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