Info
| ID | 1654 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | SCV49 |
| SMILES | Cc1ccnc(-c2cc(/C(C#N)=C3/C=C(C(F)(F)F)c4cc5c6c(c4O3)CCCN6CCC5)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C49H39F3N8ORu/(1-40)(2-77)(3-41)(4-43)(5-62)(6-51)(7-71)(8-72)(9-44)(10-52)(11-74)(12-42)(13-54)(14-46)(15-47)(16-73)(17-77)(18-45)(19-56)(20-62)(21-40)(22-40)(23-59)(24-55)(25-61)(26-61)(27-53)(28-59)(29-49)(30-58)(31-48)(32-57)(33-60)(34-76)(35-78)(36-75)(37-78)(38-50)(39-60)(40-63)(41-42)(41-79)(42-44)(43-47)(43-80)(44-71)(45-48)(45-81)(46-47)(46-72)(48-49)(49-74)(50-63)(50-76)(51-69)(51-73)(52-64)(52-66)(53-69)(53-84)(54-63)(54-85)(55-68)(55-86)(56-57)(56-82)(57-58)(58-75)(59-60)(59-77)(60-65)(61-62)(61-78)(62-66)(64-68)(64-87)(65-83)(65-87)(66-83)(67-69)(67-70)(67-86)(68-88)(70-89)(71-91)(72-92)(73-93)(74-94)(75-95)(76-96)(77-90)(78-90)(79-81)(79-91)(80-82)(80-92)(81-94)(82-95)(83-90)(84-85)(84-93)(85-96)(86-97)(87-97)(88-98)(88-99)(88-100)(91-101)(92-101)(93-101)(94-101)(95-101)(96-101)(97-101)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CT-26 | — | 0.025 | 10.1021/jacs.4c15036 | 2025 |
| CT-26 | — | 0.025 | 10.1021/jacs.4c15036 | 2025 |
| CT-26 | — | 0.017 | 10.1021/jacs.4c15036 | 2025 |
| CT-26 | — | 0.0074 | 10.1021/jacs.4c15036 | 2025 |
| CT-26 | — | 0.036 | 10.1021/jacs.4c15036 | 2025 |
| CT-26 | — | 0.76 | 10.1021/jacs.4c15036 | 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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