Info
| ID | 1542 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | MB2 |
| SMILES | NC(=S)N/N=c1\c(O)c(-c2ccc(Cl)cc2)oc2ccccc12.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C36H28ClN7O2RuS/(1-51)(2-32)(3-30)(4-33)(5-29)(6-52)(7-48)(8-31)(9-47)(10-39)(11-36)(12-40)(13-34)(14-35)(15-41)(16-38)(17-37)(18-53)(19-45)(20-54)(21-46)(22-44)(23-42)(24-43)(25-66)(26-65)(27-65)(28-72)(29-30)(29-51)(30-32)(31-33)(31-52)(32-55)(33-36)(34-35)(34-47)(35-61)(36-56)(37-38)(37-58)(38-41)(39-40)(39-64)(40-50)(41-53)(42-43)(42-54)(43-44)(44-59)(45-46)(45-50)(46-64)(47-48)(48-49)(49-57)(49-61)(50-62)(51-67)(52-68)(53-69)(54-70)(55-56)(55-67)(56-68)(57-60)(57-71)(58-59)(58-69)(59-70)(60-62)(60-72)(61-73)(62-73)(63-65)(63-66)(63-74)(64-75)(66-71)(67-76)(68-76)(69-76)(70-76)(71-76)(72-76)(73-76)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 43 | — | 10.1002/slct.201802929 | 2018 |
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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