Info
| ID | 1541 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | MB1 |
| SMILES | COc1ccc(-c2oc3ccccc3/c(=N/NC(N)=S)c2O)cc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C37H31N7O3RuS/(1-33)(2-42)(3-35)(4-54)(5-40)(6-34)(7-32)(8-55)(9-37)(10-41)(11-63)(12-63)(13-63)(14-51)(15-44)(16-45)(17-50)(18-47)(19-49)(20-36)(21-38)(22-56)(23-57)(24-43)(25-46)(26-39)(27-48)(28-69)(29-69)(30-70)(31-76)(32-34)(32-58)(33-34)(33-54)(35-37)(35-55)(36-37)(36-59)(38-47)(38-56)(39-49)(39-57)(40-43)(40-50)(41-42)(41-52)(42-66)(43-53)(44-45)(44-52)(45-66)(46-47)(46-60)(48-49)(48-61)(50-51)(51-64)(52-65)(53-62)(53-64)(54-71)(55-72)(56-73)(57-74)(58-59)(58-71)(59-72)(60-61)(60-73)(61-74)(62-67)(62-75)(63-78)(64-77)(65-67)(65-77)(66-78)(67-76)(68-69)(68-70)(68-79)(70-75)(71-80)(72-80)(73-80)(74-80)(75-80)(77-80)(78-80)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 81 | — | 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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