Info
| ID | 3642 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5, "P": 1} |
| Abbreviation | 4a |
| SMILES | C1N2CN3CN1CP(C2)C3.Cc1ccc(C(C)C)cc1.S=C(Nc1ccc(Cl)cc1)c1ccccn1 |
TUCAN
C28H35ClN5PRuS/(1-40)(2-48)(3-49)(4-41)(5-36)(6-36)(7-44)(8-37)(9-37)(10-52)(11-43)(12-37)(13-38)(14-56)(15-56)(16-59)(17-57)(18-57)(19-42)(20-47)(21-45)(22-53)(23-46)(24-38)(25-38)(26-39)(27-36)(28-59)(29-60)(30-60)(31-58)(32-61)(33-58)(34-61)(35-64)(36-51)(37-52)(38-52)(39-41)(39-54)(40-48)(40-55)(41-42)(42-53)(43-44)(43-50)(44-51)(45-46)(45-51)(46-50)(47-49)(47-55)(48-63)(49-63)(50-52)(53-68)(54-62)(54-68)(55-64)(56-65)(56-67)(57-65)(57-66)(58-66)(58-67)(59-65)(59-69)(60-66)(60-69)(61-67)(61-69)(62-64)(62-70)(63-71)(68-72)(69-72)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | — | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| NCI-H460 | — | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| SiHa | — | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
| SW480 | — | — | 10.1016/j.jinorgbio.2022.11211... | 2023 |
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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