Info
| ID | 2513 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 5 |
| SMILES | CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C42H38N8Ru/(1-67)(2-68)(3-43)(4-39)(5-45)(6-40)(7-41)(8-42)(9-47)(10-70)(11-63)(12-63)(13-63)(14-64)(15-69)(16-64)(17-49)(18-64)(19-65)(20-65)(21-71)(22-44)(23-54)(24-65)(25-50)(26-52)(27-66)(28-72)(29-51)(30-74)(31-48)(32-66)(33-66)(34-55)(35-73)(36-46)(37-56)(38-53)(39-41)(39-57)(40-43)(40-57)(41-58)(42-52)(42-58)(43-67)(44-46)(44-60)(45-50)(45-68)(46-61)(47-59)(47-70)(48-59)(48-77)(49-59)(49-69)(50-60)(51-55)(51-61)(52-71)(53-62)(53-80)(54-62)(54-73)(55-74)(56-62)(56-72)(57-75)(58-76)(60-78)(61-79)(63-81)(64-81)(65-82)(66-82)(67-83)(68-85)(69-84)(70-81)(71-86)(72-82)(73-88)(74-87)(75-76)(75-83)(76-86)(77-80)(77-84)(78-79)(78-85)(79-87)(80-88)(83-89)(84-89)(85-89)(86-89)(87-89)(88-89)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CT-26 | — | 53 | 10.1021/jacs.9b13620 | 2020 |
| U-87 MG | — | — | 10.1021/jacs.9b13620 | 2020 |
| U373 | — | — | 10.1021/jacs.9b13620 | 2020 |
| HeLa | — | — | 10.1021/jacs.9b13620 | 2020 |
| RPE-1 | — | — | 10.1021/jacs.9b13620 | 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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