Info
| ID | 3261 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru(II)-1 |
| SMILES | Fc1ccc(C=Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C41H29FN8Ru/(1-55)(2-37)(3-30)(4-59)(5-56)(6-33)(7-43)(8-31)(9-39)(10-44)(11-32)(12-40)(13-35)(14-51)(15-36)(16-60)(17-42)(18-57)(19-41)(20-38)(21-58)(22-45)(23-50)(24-34)(25-46)(26-47)(27-48)(28-49)(29-72)(30-32)(30-55)(31-46)(31-56)(32-33)(33-61)(34-36)(34-69)(35-37)(35-59)(36-53)(37-52)(38-39)(38-40)(39-64)(40-57)(41-46)(41-65)(42-50)(42-60)(43-44)(43-53)(44-70)(45-51)(45-70)(47-48)(47-49)(48-66)(49-58)(50-54)(51-53)(52-62)(52-67)(54-63)(54-68)(55-73)(56-74)(57-75)(58-76)(59-71)(60-78)(61-64)(61-73)(62-63)(62-72)(63-77)(64-75)(65-66)(65-74)(66-76)(67-68)(67-71)(68-78)(69-72)(69-77)(70-79)(73-80)(74-80)(75-80)(76-80)(77-80)(78-80)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 21 | — | 10.1016/j.jinorgbio.2021.11161... | 2021 |
| A549 | 25 | — | 10.1016/j.jinorgbio.2021.11161... | 2021 |
| HeLa | 30 | — | 10.1016/j.jinorgbio.2021.11161... | 2021 |
| SGC-7901 | 52 | — | 10.1016/j.jinorgbio.2021.11161... | 2021 |
| LO2 | — | — | 10.1016/j.jinorgbio.2021.11161... | 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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