Info
| ID | 1543 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | MP2 |
| SMILES | NC(=S)N/N=c1\c(O)c(-c2ccc(Cl)cc2)oc2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C40H28ClN7O2RuS/(1-32)(2-31)(3-33)(4-43)(5-55)(6-29)(7-36)(8-46)(9-45)(10-39)(11-30)(12-35)(13-48)(14-37)(15-56)(16-57)(17-58)(18-34)(19-41)(20-44)(21-38)(22-42)(23-47)(24-40)(25-70)(26-69)(27-69)(28-76)(29-32)(29-49)(30-44)(30-50)(31-33)(31-49)(32-55)(33-50)(34-35)(34-56)(35-51)(36-39)(36-68)(37-38)(37-48)(38-64)(39-53)(40-41)(40-52)(41-57)(42-46)(42-53)(43-45)(43-51)(44-58)(45-52)(46-68)(47-48)(47-54)(49-59)(50-60)(51-62)(52-63)(53-65)(54-61)(54-64)(55-71)(56-72)(57-73)(58-74)(59-60)(59-71)(60-74)(61-66)(61-75)(62-63)(62-72)(63-73)(64-77)(65-66)(65-77)(66-76)(67-69)(67-70)(67-78)(68-79)(70-75)(71-80)(72-80)(73-80)(74-80)(75-80)(76-80)(77-80)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 91 | — | 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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