Info
| ID | 463 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | RuPhAEM |
| SMILES | Cc1ccc(C(C)C)cc1.O=C(NCCN1CCOCC1)c1cc2cccnc2c2ncccc12.[Cl-] |
TUCAN
C29H34N4O2Ru/(1-57)(2-35)(3-35)(4-36)(5-35)(6-38)(7-41)(8-39)(9-55)(10-55)(11-42)(12-61)(13-58)(14-40)(15-58)(16-61)(17-57)(18-56)(19-53)(20-62)(21-62)(22-54)(23-56)(24-44)(25-36)(26-43)(27-52)(28-46)(29-36)(30-37)(31-37)(32-37)(33-45)(34-64)(35-49)(36-52)(37-52)(38-40)(38-54)(39-42)(39-48)(40-51)(41-47)(41-48)(42-53)(43-44)(43-49)(44-50)(45-46)(45-50)(46-49)(47-51)(47-63)(48-60)(50-52)(51-59)(53-66)(54-67)(55-61)(55-65)(56-57)(56-65)(57-64)(58-62)(58-65)(59-60)(59-67)(60-66)(61-69)(62-69)(63-64)(63-68)(66-70)(67-70)(69-70)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| U373 | 2.8e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
| A549 | 3.5e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
| MCF-7 | 4.9e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
| B16-F10 | 5e+02 | — | 10.1007/s00775-021-01873-9 | 2021 |
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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