Info
| ID | 6609 |
| Metal | Os |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 9 |
| SMILES | CN(C)c1ccc(/N=N/c2ccccn2)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C33H42N4Os/(1-68)(2-43)(3-50)(4-43)(5-43)(6-52)(7-49)(8-44)(9-44)(10-44)(11-45)(12-56)(13-70)(14-57)(15-47)(16-55)(17-72)(18-47)(19-45)(20-47)(21-51)(22-45)(23-69)(24-46)(25-70)(26-59)(27-70)(28-60)(29-71)(30-48)(31-46)(32-53)(33-48)(34-48)(35-54)(36-61)(37-58)(38-46)(39-71)(40-62)(41-63)(42-71)(43-68)(44-68)(45-69)(46-69)(47-66)(48-67)(49-50)(49-66)(50-64)(51-52)(51-66)(52-64)(53-54)(53-67)(54-65)(55-56)(55-73)(56-74)(57-62)(57-72)(58-61)(58-65)(59-60)(59-74)(60-73)(61-67)(62-63)(63-75)(64-68)(65-69)(70-77)(71-77)(72-76)(73-77)(74-79)(75-76)(75-78)(78-79)(78-80)(79-80)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780cisR | 0.37 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A2780 | 1.8 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116Ox | 5.8 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| MRC-5 | 7.1 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HOF | 11 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| HCT-116 | 22 | — | 10.1021/acs.jmedchem.8b00958 | 2018 |
| A549 | 37 | — | 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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