Info
| ID | 3048 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 2, "P": 1} |
| Abbreviation | 1a |
| SMILES | Cc1ccc(C(C)C)cc1.O=C([N-]C(=S)NCc1ccco1)c1ccco1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C39H38N2O3PRuS/(1-40)(2-40)(3-40)(4-41)(5-43)(6-46)(7-44)(8-47)(9-45)(10-53)(11-55)(12-56)(13-54)(14-48)(15-60)(16-51)(17-49)(18-68)(19-69)(20-59)(21-63)(22-62)(23-57)(24-68)(25-70)(26-61)(27-58)(28-50)(29-42)(30-39)(31-41)(32-67)(33-39)(34-52)(35-64)(36-39)(37-41)(38-78)(39-65)(40-67)(41-67)(42-57)(42-69)(43-44)(43-45)(44-46)(45-47)(46-74)(47-74)(48-55)(48-56)(49-51)(49-65)(50-58)(50-72)(51-66)(52-64)(52-66)(53-55)(53-75)(54-56)(54-75)(57-71)(58-70)(59-60)(59-62)(60-76)(61-62)(61-63)(63-76)(64-65)(66-67)(68-72)(68-78)(69-81)(70-82)(71-73)(71-81)(72-82)(73-79)(73-80)(74-83)(75-83)(76-83)(77-78)(77-79)(77-84)(79-85)(81-85)(82-85)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.25 | — | 10.1016/j.jinorgbio.2018.06.00... | 2018 |
| MRC-5 | 1.4 | — | 10.1016/j.jinorgbio.2018.06.00... | 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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