Info
| ID | 3172 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 1 |
| SMILES | c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1 |
TUCAN
C38H30N8Ru/(1-31)(2-32)(3-53)(4-33)(5-54)(6-55)(7-56)(8-41)(9-34)(10-37)(11-57)(12-40)(13-43)(14-58)(15-60)(16-62)(17-38)(18-36)(19-35)(20-50)(21-42)(22-47)(23-59)(24-44)(25-46)(26-39)(27-61)(28-45)(29-48)(30-49)(31-32)(31-33)(32-53)(33-54)(34-41)(34-55)(35-36)(35-52)(36-62)(37-41)(37-56)(38-43)(38-57)(39-40)(39-51)(40-60)(42-43)(42-58)(44-46)(44-66)(45-47)(45-59)(46-49)(47-48)(48-61)(49-50)(50-64)(51-65)(51-67)(52-63)(52-68)(53-71)(54-71)(55-72)(56-72)(57-74)(58-74)(59-75)(60-70)(61-75)(62-76)(63-65)(63-73)(64-66)(64-69)(65-69)(66-73)(67-68)(67-70)(68-76)(71-77)(72-77)(73-77)(74-77)(75-77)(76-77)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | 94 | 54 | 10.1021/acs.jmedchem.0c02257 | 2021 |
| HeLa | 1.5e+02 | 76 | 10.1021/acs.jmedchem.0c02257 | 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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