Info
| ID | 2696 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 5} |
| Abbreviation | 6b |
| SMILES | COc1ccc(Cc2c3c(C)ccc(C)c3c(Cc3ccc(OC)cc3)[c-]2Cc2ccc(OC)cc2)cc1.[C-]#[O+].[C-]#[O+].[Cl-] |
TUCAN
C37H35O5Ru/(1-69)(2-38)(3-48)(4-43)(5-40)(6-52)(7-44)(8-53)(9-67)(10-52)(11-54)(12-67)(13-53)(14-45)(15-36)(16-46)(17-67)(18-36)(19-39)(20-69)(21-49)(22-68)(23-68)(24-36)(25-54)(26-68)(27-37)(28-41)(29-69)(30-37)(31-47)(32-37)(33-50)(34-42)(35-51)(36-55)(37-57)(38-40)(38-56)(39-41)(39-61)(40-71)(41-70)(42-50)(42-61)(43-45)(43-56)(44-47)(44-64)(45-71)(46-51)(46-64)(47-72)(48-49)(48-55)(49-57)(50-70)(51-72)(52-56)(52-59)(53-61)(53-62)(54-58)(54-64)(55-60)(57-63)(58-60)(58-62)(59-62)(59-63)(60-63)(65-73)(66-74)(67-75)(68-76)(69-77)(70-77)(71-75)(72-76)(75-78)(76-78)(77-78)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| Caco-2 | 2.4 | — | 10.1021/om400234p | 2014 |
| A2780 | 4.3 | — | 10.1021/om400234p | 2014 |
| HeLa | 4.7 | — | 10.1021/om400234p | 2014 |
| MCF-7 | 5.1 | — | 10.1021/om400234p | 2014 |
| A431 | 5.6 | — | 10.1021/om400234p | 2014 |
| HeLa | 7.8 | — | 10.1021/om400234p | 2014 |
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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