Info
| ID | 2099 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 8b |
| SMILES | Cc1ccc(C(C)C)cc1.O=C1c2cccc3cccc(c23)C(=O)N1CCN(c1ccccn1)c1ccccn1.[Cl-] |
TUCAN
C34H32N4O2Ru/(1-39)(2-48)(3-42)(4-34)(5-34)(6-41)(7-59)(8-38)(9-49)(10-36)(11-40)(12-37)(13-60)(14-62)(15-62)(16-44)(17-61)(18-51)(19-45)(20-61)(21-50)(22-46)(23-34)(24-33)(25-35)(26-58)(27-35)(28-33)(29-43)(30-47)(31-33)(32-35)(33-53)(34-58)(35-58)(36-39)(36-48)(37-38)(37-59)(38-40)(39-52)(40-63)(41-42)(41-53)(42-54)(43-47)(43-54)(44-45)(44-60)(45-46)(46-64)(47-53)(48-56)(49-50)(49-56)(50-51)(51-57)(52-55)(52-65)(54-58)(55-56)(55-57)(57-66)(59-69)(60-70)(61-62)(61-67)(62-68)(63-67)(63-69)(64-67)(64-70)(65-68)(65-71)(66-68)(66-72)(69-73)(70-73)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CRL7687 | 0.69 | — | 10.1016/j.ica.2015.05.025 | 2015 |
| CA-M75 | 0.93 | — | 10.1016/j.ica.2015.05.025 | 2015 |
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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