Info
| ID | 4678 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru4 |
| SMILES | COc1cc(/C=C\c2ccc(OC)c(/N=C/c3ccc4ccccc4n3)c2)cc(OC)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C51H40N6O3Ru/(1-41)(2-78)(3-88)(4-62)(5-74)(6-42)(7-75)(8-86)(9-59)(10-88)(11-88)(12-44)(13-43)(14-54)(15-51)(16-86)(17-60)(18-61)(19-65)(20-86)(21-87)(22-45)(23-46)(24-50)(25-87)(26-56)(27-52)(28-76)(29-87)(30-58)(31-77)(32-47)(33-48)(34-63)(35-64)(36-55)(37-53)(38-66)(39-57)(40-49)(41-43)(41-74)(42-44)(42-67)(43-67)(44-68)(45-46)(45-75)(46-68)(47-49)(47-69)(48-50)(48-76)(49-72)(50-69)(51-70)(51-89)(52-55)(52-56)(53-55)(53-71)(54-65)(54-70)(56-80)(57-89)(57-90)(58-63)(58-72)(59-62)(59-71)(60-61)(60-91)(61-73)(62-85)(63-77)(64-70)(64-90)(65-73)(66-73)(66-81)(67-79)(68-82)(69-83)(71-80)(72-84)(74-92)(75-93)(76-96)(77-97)(78-85)(78-94)(79-82)(79-92)(80-95)(81-91)(81-94)(82-93)(83-84)(83-96)(84-97)(85-95)(86-98)(87-99)(88-100)(89-98)(90-99)(91-100)(92-101)(93-101)(94-101)(95-101)(96-101)(97-101)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 35 | 0.028 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HCT-116 | 35 | 0.049 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HT-29 | 50 | 0.054 | 10.1016/j.jinorgbio.2025.11287... | 2025 |
| HT-29 | 50 | 0.074 | 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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