Info
| ID | 2411 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"O": 3, "N": 4} |
| Abbreviation | 6 |
| SMILES | O=[N+]([O-])c1ccc([O-])c([O-])c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C54H35N5O4Ru/(1-37)(2-36)(3-38)(4-39)(5-52)(6-43)(7-57)(8-79)(9-60)(10-41)(11-46)(12-80)(13-45)(14-81)(15-47)(16-49)(17-40)(18-48)(19-82)(20-64)(21-63)(22-50)(23-42)(24-55)(25-53)(26-44)(27-56)(28-65)(29-54)(30-58)(31-59)(32-66)(33-61)(34-51)(35-62)(36-37)(36-68)(37-39)(38-40)(38-68)(39-40)(41-42)(41-73)(42-55)(43-69)(43-79)(44-46)(44-55)(45-74)(45-80)(46-73)(47-75)(47-81)(48-76)(48-82)(49-56)(49-77)(50-58)(50-77)(51-85)(51-88)(52-57)(52-67)(53-59)(53-78)(54-61)(54-78)(56-65)(57-70)(58-65)(59-66)(60-64)(60-71)(61-66)(62-63)(62-89)(63-85)(64-72)(67-69)(67-83)(68-69)(70-74)(70-84)(71-75)(71-86)(72-76)(72-87)(73-74)(75-77)(76-78)(79-91)(80-92)(81-93)(82-94)(83-84)(83-91)(84-92)(85-90)(86-87)(86-93)(87-94)(88-89)(88-95)(89-96)(90-97)(90-98)(91-99)(92-99)(93-99)(94-99)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CT-26 | 7.6 | — | 10.1021/jacs.9b12464 | 2020 |
| CT-26 LUC | 9 | — | 10.1021/jacs.9b12464 | 2020 |
| HeLa | 10 | — | 10.1021/jacs.9b12464 | 2020 |
| A2780 | 12 | — | 10.1021/jacs.9b12464 | 2020 |
| A2780cisR | 16 | — | 10.1021/jacs.9b12464 | 2020 |
| RPE-1 | 17 | — | 10.1021/jacs.9b12464 | 2020 |
| A2780/ADR | 19 | — | 10.1021/jacs.9b12464 | 2020 |
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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