Info
| ID | 6608 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 8 |
| SMILES | Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1.c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 |
TUCAN
C39H34N2O2OsS/(1-48)(2-36)(3-42)(4-37)(5-39)(6-44)(7-40)(8-38)(9-46)(10-45)(11-41)(12-53)(13-59)(14-71)(15-61)(16-60)(17-50)(18-35)(19-35)(20-72)(21-47)(22-35)(23-51)(24-52)(25-57)(26-54)(27-56)(28-55)(29-43)(30-58)(31-49)(32-63)(33-62)(34-74)(35-64)(36-37)(36-40)(37-65)(38-42)(38-65)(39-53)(39-66)(40-42)(41-45)(41-67)(43-45)(43-54)(44-56)(44-66)(46-59)(46-64)(47-48)(47-50)(48-49)(49-52)(50-69)(51-60)(51-64)(52-69)(53-68)(54-55)(55-67)(56-68)(57-61)(57-62)(58-62)(58-63)(59-73)(60-73)(61-70)(63-70)(65-66)(67-68)(69-72)(70-71)(71-72)(71-74)(72-75)(73-78)(74-79)(75-78)(75-79)(76-78)(77-78)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 4.4 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| MRC-5 | 9.7 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A2780cisR | 10 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HOF | 24 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A549 | 26 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116 | 41 | — | 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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