Info
| ID | 3097 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | Brc1ccc2nc3c4cccnc4c4ncccc4c3nc2n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C41H24BrN9Ru/(1-49)(2-25)(3-26)(4-33)(5-50)(6-35)(7-51)(8-28)(9-27)(10-34)(11-53)(12-31)(13-29)(14-54)(15-37)(16-40)(17-36)(18-38)(19-30)(20-32)(21-39)(22-52)(23-41)(24-42)(25-26)(25-49)(26-43)(27-34)(27-44)(28-41)(28-50)(29-30)(29-45)(30-52)(31-32)(31-53)(32-46)(33-35)(33-43)(34-51)(35-44)(36-42)(36-54)(37-38)(37-47)(38-48)(39-40)(39-63)(40-65)(41-47)(42-48)(43-55)(44-56)(45-58)(45-61)(46-60)(46-62)(47-57)(48-59)(49-69)(50-70)(51-71)(52-66)(53-74)(54-72)(55-56)(55-69)(56-71)(57-59)(57-70)(58-60)(58-68)(59-72)(60-73)(61-62)(61-66)(62-74)(63-64)(63-73)(64-67)(64-68)(65-67)(65-75)(69-76)(70-76)(71-76)(72-76)(73-76)(74-76)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 32 | — | 10.1016/j.jphotobiol.2016.03.0... | 2016 |
| A549 | 36 | — | 10.1016/j.jphotobiol.2016.03.0... | 2016 |
| DU-145 | 43 | — | 10.1016/j.jphotobiol.2016.03.0... | 2016 |
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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