Info
| ID | 1687 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"O": 1, "N": 4} |
| Abbreviation | Complex 4 |
| SMILES | Cc1ccc(C(C)C)cc1.O=[N+]([O-])c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.[Cl-] |
TUCAN
C28H23N5O2Ru/(1-29)(2-24)(3-24)(4-25)(5-24)(6-35)(7-44)(8-36)(9-37)(10-27)(11-43)(12-28)(13-33)(14-34)(15-25)(16-25)(17-30)(18-26)(19-31)(20-26)(21-42)(22-32)(23-26)(24-38)(25-42)(26-42)(27-28)(27-50)(28-45)(29-30)(29-38)(30-39)(31-32)(31-39)(32-38)(33-34)(33-40)(34-44)(35-45)(35-47)(36-37)(36-41)(37-43)(39-42)(40-46)(40-49)(41-48)(41-51)(43-52)(44-55)(45-54)(46-51)(46-55)(47-50)(47-53)(48-49)(48-53)(49-56)(50-56)(51-52)(54-57)(54-58)(55-59)(56-59)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 5.4 | — | 10.1016/j.jinorgbio.2019.11086... | 2019 |
| PANC-1 | 5.7 | — | 10.1016/j.jinorgbio.2019.11086... | 2019 |
| K-562 | 6.8 | — | 10.1016/j.jinorgbio.2019.11086... | 2019 |
| MRC-5 | 10 | — | 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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