Info
| ID | 4122 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 4} |
| Abbreviation | 4 |
| SMILES | O=C(Nc1ccc(F)cc1F)c1ccccn1.O=C(Nc1ccc(F)cc1F)c1ccccn1.[Cl-].[Cl-] |
TUCAN
C24H16F4N4O2Ru/(1-19)(2-17)(3-22)(4-29)(5-18)(6-21)(7-20)(8-23)(9-27)(10-30)(11-28)(12-25)(13-24)(14-26)(15-41)(16-42)(17-22)(17-31)(18-22)(18-29)(19-37)(19-38)(20-21)(20-32)(21-37)(23-26)(23-40)(24-25)(24-28)(25-30)(26-34)(27-39)(27-40)(28-33)(29-43)(30-44)(31-35)(31-43)(32-38)(32-41)(33-36)(33-44)(34-39)(34-42)(35-41)(35-45)(36-42)(36-46)(37-48)(38-47)(39-50)(40-49)(43-51)(44-51)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 7.3 | — | 10.1002/chem.201605960 | 2017 |
| A2780 | 22 | — | 10.1002/chem.201605960 | 2017 |
| A2780cisR | 25 | — | 10.1002/chem.201605960 | 2017 |
| ARPE-19 | 30 | — | 10.1002/chem.201605960 | 2017 |
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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