Info
| ID | 6611 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 11 |
| SMILES | CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.[Cl-].c1ccc(-c2ccccc2)cc1 |
TUCAN
C35H38N4Os/(1-43)(2-42)(3-49)(4-45)(5-44)(6-51)(7-52)(8-50)(9-40)(10-58)(11-59)(12-62)(13-70)(14-48)(15-55)(16-61)(17-60)(18-40)(19-47)(20-40)(21-68)(22-56)(23-57)(24-68)(25-39)(26-67)(27-46)(28-41)(29-53)(30-39)(31-39)(32-41)(33-41)(34-54)(35-68)(36-69)(37-69)(38-69)(39-66)(40-67)(41-67)(42-43)(42-63)(43-49)(44-45)(44-49)(45-63)(46-47)(46-65)(47-66)(48-56)(48-71)(50-52)(50-59)(51-52)(51-64)(53-54)(53-66)(54-65)(55-57)(55-71)(56-72)(57-72)(58-59)(58-64)(60-62)(60-73)(61-62)(61-70)(63-64)(65-67)(68-75)(69-75)(70-74)(71-77)(72-75)(73-74)(73-76)(76-77)(76-78)(77-78)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 3.9 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116 | 7.2 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116Ox | 10 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A2780cisR | 17 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| MRC-5 | 17 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A549 | 20 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HOF | 27 | — | 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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