Info
| ID | 644 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"S": 3, "N": 3, "P": 1, "O": 1} |
| Abbreviation | 4 |
| SMILES | C1CSCCSCCS1.C1N2CN3CN1CP(C2)C3.O=C(C=C([O-])/C=C/c1ccc(O)cc1)/C=C/c1ccc(O)cc1 |
TUCAN
C31H39N3O4PRuS3/(1-41)(2-47)(3-40)(4-50)(5-45)(6-42)(7-55)(8-55)(9-56)(10-56)(11-57)(12-57)(13-43)(14-44)(15-51)(16-65)(17-65)(18-66)(19-66)(20-67)(21-67)(22-68)(23-68)(24-46)(25-52)(26-62)(27-48)(28-62)(29-63)(30-49)(31-63)(32-69)(33-69)(34-64)(35-70)(36-70)(37-64)(38-76)(39-77)(40-41)(40-58)(41-53)(42-43)(42-53)(43-58)(44-46)(44-60)(45-47)(45-59)(46-54)(47-53)(48-51)(48-54)(49-52)(49-54)(50-59)(50-61)(51-60)(52-61)(55-71)(55-72)(56-71)(56-73)(57-72)(57-73)(58-76)(59-74)(60-77)(61-75)(62-71)(62-78)(63-72)(63-78)(64-73)(64-78)(65-70)(65-79)(66-67)(66-79)(67-80)(68-69)(68-80)(69-81)(70-81)(76-82)(77-82)(78-82)(79-82)(80-82)(81-82)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 1.7e+02 | — | 10.1016/j.jinorgbio.2021.11138... | 2021 |
| MCF-7 | 2e+02 | — | 10.1016/j.jinorgbio.2021.11138... | 2021 |
| A549 | — | — | 10.1016/j.jinorgbio.2021.11138... | 2021 |
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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