Info
| ID | 3805 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 8j |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1ccc2nc(-c3nc4ccccc4[nH]c3=O)oc2c1.[Cl-] |
TUCAN
C26H25N3O2Ru/(1-44)(2-27)(3-33)(4-26)(5-26)(6-27)(7-35)(8-29)(9-37)(10-32)(11-29)(12-38)(13-29)(14-30)(15-31)(16-39)(17-36)(18-27)(19-28)(20-28)(21-34)(22-26)(23-28)(24-40)(25-52)(26-42)(27-44)(28-44)(29-41)(30-32)(30-38)(31-36)(31-45)(32-47)(33-35)(33-42)(34-40)(34-42)(35-43)(36-41)(37-38)(37-48)(39-41)(39-49)(40-43)(43-44)(45-49)(45-54)(46-50)(46-51)(46-53)(47-48)(47-53)(48-52)(49-56)(50-52)(50-55)(51-54)(51-56)(53-57)(54-57)(56-57)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CH-1 | 5.7 | — | 10.1021/jm3000906 | 2012 |
| SW480 | 19 | — | 10.1021/jm3000906 | 2012 |
| A549 | 56 | — | 10.1021/jm3000906 | 2012 |
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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