Info
| ID | 1879 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 2 |
| SMILES | O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C44H38N8O3Ru/(1-39)(2-40)(3-44)(4-48)(5-41)(6-42)(7-47)(8-68)(9-58)(10-58)(11-56)(12-60)(13-60)(14-56)(15-59)(16-69)(17-45)(18-70)(19-49)(20-50)(21-54)(22-43)(23-71)(24-46)(25-73)(26-61)(27-61)(28-53)(29-55)(30-72)(31-59)(32-51)(33-52)(34-57)(35-57)(36-84)(37-83)(38-93)(39-40)(39-68)(40-62)(41-42)(41-62)(42-63)(43-44)(43-69)(44-63)(45-46)(45-64)(46-70)(47-52)(47-64)(48-49)(48-65)(49-71)(50-51)(50-66)(51-72)(52-67)(53-55)(53-67)(54-66)(54-80)(55-73)(56-59)(56-60)(57-58)(57-61)(58-82)(59-81)(60-61)(62-74)(63-77)(64-78)(65-75)(65-80)(66-76)(67-79)(68-85)(69-86)(70-89)(71-87)(72-88)(73-90)(74-77)(74-85)(75-76)(75-87)(76-88)(77-86)(78-79)(78-89)(79-90)(80-83)(81-83)(81-91)(82-84)(82-92)(84-93)(85-94)(86-94)(87-94)(88-94)(89-94)(90-94)(93-94)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 96 | — | 10.1002/chem.201300814 | 2013 |
| A549 | — | — | 10.1002/chem.201300814 | 2013 |
| A549cisR | — | — | 10.1002/chem.201300814 | 2013 |
| HepG2 | — | — | 10.1002/chem.201300814 | 2013 |
| LO2 | — | — | 10.1002/chem.201300814 | 2013 |
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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