Info
| ID | 3125 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | Complex 5 |
| SMILES | COc1ccc(C([O-])=NN=Cc2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C31H31N2O2Ru/(1-32)(2-44)(3-32)(4-35)(5-32)(6-36)(7-34)(8-34)(9-34)(10-45)(11-33)(12-33)(13-37)(14-39)(15-47)(16-50)(17-42)(18-43)(19-59)(20-48)(21-49)(22-60)(23-60)(24-51)(25-38)(26-33)(27-58)(28-40)(29-46)(30-41)(31-60)(32-58)(33-56)(34-58)(35-44)(35-52)(36-45)(36-52)(37-43)(37-57)(38-42)(38-55)(39-40)(39-50)(40-53)(41-47)(41-53)(42-54)(43-61)(44-56)(45-56)(46-51)(46-55)(47-50)(48-49)(48-57)(49-61)(51-54)(52-58)(53-55)(54-59)(57-62)(59-63)(60-66)(61-66)(62-64)(62-65)(63-64)(63-67)(64-67)(66-67)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 7.4 | — | 10.1021/acs.organomet.2c00290 | 2022 |
| MDA-MB-231 | 9.5 | — | 10.1021/acs.organomet.2c00290 | 2022 |
| HepG2 | 11 | — | 10.1021/acs.organomet.2c00290 | 2022 |
| HEK293 | 3e+02 | — | 10.1021/acs.organomet.2c00290 | 2022 |
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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