Info
| ID | 1712 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | C3 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].c1cnc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C27H23N5Ru/(1-29)(2-24)(3-24)(4-25)(5-24)(6-27)(7-36)(8-35)(9-34)(10-44)(11-43)(12-28)(13-33)(14-42)(15-25)(16-30)(17-31)(18-25)(19-26)(20-26)(21-41)(22-32)(23-26)(24-37)(25-41)(26-41)(27-33)(27-39)(28-35)(28-42)(29-30)(29-37)(30-38)(31-32)(31-38)(32-37)(33-44)(34-36)(34-40)(35-48)(36-43)(38-41)(39-45)(39-47)(40-46)(40-49)(42-55)(43-52)(44-51)(45-49)(45-51)(46-47)(46-54)(47-53)(48-50)(48-53)(49-52)(50-54)(50-55)(54-56)(55-56)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A375 | 16 | — | 10.1007/s00775-019-01647-4 | 2019 |
| A549 | 36 | — | 10.1007/s00775-019-01647-4 | 2019 |
| LS 174T | 66 | — | 10.1007/s00775-019-01647-4 | 2019 |
| MRC-5 | 69 | — | 10.1007/s00775-019-01647-4 | 2019 |
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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