Info
| ID | 1544 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | MP3 |
| SMILES | CN(C)c1ccc(-c2oc3ccccc3/c(=N/NC(N)=S)c2O)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C42H34N8O2RuS/(1-38)(2-40)(3-63)(4-37)(5-44)(6-43)(7-35)(8-46)(9-64)(10-36)(11-61)(12-42)(13-41)(14-61)(15-45)(16-50)(17-39)(18-52)(19-65)(20-48)(21-61)(22-62)(23-47)(24-66)(25-51)(26-54)(27-53)(28-49)(29-62)(30-62)(31-77)(32-77)(33-79)(34-85)(35-37)(35-55)(36-39)(36-56)(37-63)(38-40)(38-55)(39-64)(40-56)(41-42)(41-72)(42-60)(43-44)(43-45)(44-54)(45-74)(46-50)(46-57)(47-48)(47-65)(48-57)(49-53)(49-66)(50-58)(51-52)(51-60)(52-72)(53-58)(54-59)(55-67)(56-68)(57-69)(58-71)(59-70)(59-74)(60-75)(61-78)(62-78)(63-80)(64-81)(65-82)(66-83)(67-68)(67-80)(68-81)(69-71)(69-82)(70-73)(70-84)(71-83)(72-78)(73-75)(73-85)(74-86)(75-86)(76-77)(76-79)(76-87)(79-84)(80-88)(81-88)(82-88)(83-88)(84-88)(85-88)(86-88)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1e+02 | — | 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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