Info
| ID | 1685 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Complex 2 |
| SMILES | Cc1ccc(C(C)C)cc1.[Cl-].c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C28H24N4Ru/(1-25)(2-36)(3-26)(4-35)(5-25)(6-34)(7-38)(8-46)(9-31)(10-30)(11-33)(12-45)(13-32)(14-29)(15-28)(16-25)(17-26)(18-26)(19-27)(20-39)(21-37)(22-27)(23-44)(24-27)(25-41)(26-44)(27-44)(28-33)(28-38)(29-31)(29-45)(30-34)(30-46)(31-43)(32-33)(32-48)(34-40)(35-36)(35-41)(36-42)(37-39)(37-42)(38-51)(39-41)(40-47)(40-52)(42-44)(43-49)(43-50)(45-54)(46-56)(47-49)(47-55)(48-51)(48-55)(49-53)(50-52)(50-54)(51-53)(52-56)(55-57)(56-57)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PANC-1 | 5.5 | — | 10.1016/j.jinorgbio.2019.11086... | 2019 |
| MDA-MB-231 | 5.6 | — | 10.1016/j.jinorgbio.2019.11086... | 2019 |
| K-562 | 6.2 | — | 10.1016/j.jinorgbio.2019.11086... | 2019 |
| MRC-5 | 8.6 | — | 10.1016/j.jinorgbio.2019.11086... | 2019 |
| A549 | 19 | — | 10.1016/j.jinorgbio.2019.11086... | 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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