Info
| ID | 3116 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | C2 [Ru(phen)₂(dmbpy)]Cl₂ |
| SMILES | Cc1cccc(-c2cccc(C)n2)n1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C36H28N6Ru/(1-31)(2-53)(3-33)(4-38)(5-41)(6-54)(7-35)(8-29)(9-37)(10-34)(11-40)(12-32)(13-55)(14-39)(15-43)(16-45)(17-36)(18-29)(19-29)(20-48)(21-56)(22-44)(23-46)(24-42)(25-47)(26-30)(27-30)(28-30)(29-60)(30-63)(31-33)(31-49)(32-41)(32-50)(33-53)(34-35)(34-58)(35-37)(36-48)(36-59)(37-60)(38-40)(38-49)(39-45)(39-51)(40-50)(41-54)(42-46)(42-52)(43-44)(43-51)(44-52)(45-55)(46-56)(47-48)(47-63)(49-57)(50-61)(51-62)(52-64)(53-65)(54-66)(55-67)(56-68)(57-61)(57-65)(58-59)(58-69)(59-70)(60-69)(61-66)(62-64)(62-67)(63-70)(64-68)(65-71)(66-71)(67-71)(68-71)(69-71)(70-71)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 17 | 2.9 | 10.1007/s00775-020-01835-7 | 2020 |
| MDA-MB-231 | 49 | 18 | 10.1007/s00775-020-01835-7 | 2020 |
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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