Info
| ID | 4676 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2 |
| SMILES | COc1cc(/C=C\c2ccc(OC)c(/N=C/c3ccc4ccccc4n3)c2)cc(OC)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C47H40N6O3Ru/(1-70)(2-52)(3-57)(4-50)(5-71)(6-45)(7-43)(8-72)(9-65)(10-44)(11-53)(12-84)(13-84)(14-54)(15-74)(16-41)(17-46)(18-56)(19-62)(20-82)(21-51)(22-49)(23-48)(24-82)(25-82)(26-83)(27-63)(28-64)(29-83)(30-47)(31-42)(32-55)(33-59)(34-83)(35-73)(36-84)(37-66)(38-61)(39-60)(40-58)(41-43)(41-45)(42-44)(42-47)(43-70)(44-71)(45-75)(46-59)(46-72)(47-78)(48-56)(48-67)(49-51)(49-67)(50-52)(50-53)(51-85)(52-57)(53-76)(54-86)(54-87)(55-59)(55-79)(56-69)(57-68)(58-61)(58-80)(60-61)(60-74)(62-69)(62-86)(63-64)(63-68)(64-77)(65-67)(65-81)(66-69)(66-87)(68-76)(70-88)(71-89)(72-90)(73-77)(73-93)(74-91)(75-78)(75-88)(76-92)(77-92)(78-89)(79-80)(79-90)(80-91)(81-85)(81-93)(82-94)(83-95)(84-96)(85-96)(86-94)(87-95)(88-97)(89-97)(90-97)(91-97)(92-97)(93-97)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 41 | 0.1 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HCT-116 | 41 | 0.21 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HT-29 | 67 | 0.4 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HT-29 | 67 | 0.59 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
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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