Info
| ID | 4677 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru3 |
| SMILES | COc1cc(/C=C\c2ccc(OC)c(/N=C/c3ccccn3)c2)cc(OC)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C47H38N6O3Ru/(1-43)(2-52)(3-72)(4-54)(5-68)(6-40)(7-81)(8-42)(9-39)(10-61)(11-58)(12-60)(13-81)(14-81)(15-59)(16-80)(17-50)(18-80)(19-80)(20-69)(21-46)(22-41)(23-57)(24-53)(25-55)(26-70)(27-82)(28-45)(29-44)(30-56)(31-73)(32-47)(33-82)(34-71)(35-51)(36-82)(37-48)(38-49)(39-43)(39-62)(40-42)(40-62)(41-45)(41-63)(42-63)(43-68)(44-47)(44-64)(45-69)(46-48)(46-64)(47-70)(48-65)(49-56)(49-73)(50-67)(50-83)(51-54)(51-71)(52-54)(52-76)(53-67)(53-85)(55-66)(55-79)(56-65)(57-83)(57-85)(58-60)(58-66)(59-61)(59-84)(60-67)(61-66)(62-74)(63-75)(64-77)(65-78)(68-86)(69-87)(70-89)(71-88)(72-76)(72-91)(73-90)(74-75)(74-86)(75-87)(76-88)(77-78)(77-89)(78-90)(79-84)(79-91)(80-92)(81-93)(82-94)(83-92)(84-93)(85-94)(86-95)(87-95)(88-95)(89-95)(90-95)(91-95)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 78 | 1.6 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HCT-116 | 78 | 3.1 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HT-29 | 82 | 2.4 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HT-29 | 82 | 3.2 | 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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