Info
| ID | 4399 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 8a |
| SMILES | [c-]1c(-c2ccccn2)cccc1-c1ccccn1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1 |
TUCAN
C31H22N5Ru/(1-30)(2-33)(3-28)(4-26)(5-32)(6-24)(7-29)(8-36)(9-39)(10-41)(11-38)(12-25)(13-34)(14-45)(15-27)(16-37)(17-40)(18-44)(19-46)(20-35)(21-47)(22-31)(23-42)(23-43)(24-25)(24-33)(25-46)(26-36)(26-44)(27-34)(27-48)(28-29)(28-39)(29-51)(30-32)(30-42)(31-41)(31-53)(32-38)(33-50)(34-37)(35-36)(35-52)(37-49)(38-43)(39-45)(40-41)(40-47)(42-51)(43-53)(44-57)(45-56)(46-54)(47-58)(48-52)(48-55)(49-50)(49-55)(50-54)(51-56)(52-57)(53-58)(55-59)(56-59)(57-59)(58-59)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 0.7 | — | 10.1039/c1dt10322a | 2011 |
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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