Info
| ID | 4445 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | Ru-I |
| SMILES | C[N+]1=C(/C=C/c2cc(Cl)c3cccnc3c2[O-])C(C)(C)c2ccccc21.[I-].c1ccc(-c2cccc(-c3ccccn3)n2)nc1 |
TUCAN
C37H30ClN5ORu/(1-35)(2-31)(3-37)(4-58)(5-31)(6-50)(7-46)(8-45)(9-44)(10-57)(11-43)(12-40)(13-31)(14-49)(15-42)(16-38)(17-55)(18-41)(19-32)(20-56)(21-39)(22-32)(23-33)(24-32)(25-48)(26-47)(27-36)(28-34)(29-55)(30-55)(31-54)(32-54)(33-45)(33-58)(34-35)(34-37)(35-61)(36-46)(36-57)(37-60)(38-39)(38-62)(39-50)(40-41)(40-51)(41-63)(42-49)(42-56)(43-51)(43-67)(44-45)(44-64)(46-47)(47-59)(48-50)(48-52)(49-53)(51-66)(52-54)(52-62)(53-65)(53-67)(54-63)(55-69)(56-72)(57-71)(58-68)(59-61)(59-71)(60-64)(60-70)(61-70)(62-69)(63-69)(64-68)(65-66)(65-72)(66-73)(67-74)(70-75)(71-75)(72-75)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 43 | 3.1 | 10.1021/acsami.0c22551 | 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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