Info
| ID | 6358 |
| Metal | Re |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5, "O": 3} |
| Abbreviation | 2a |
| SMILES | Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C.Nc1cncc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+] |
TUCAN
C36H28F17N5O4Re/(1-46)(2-30)(3-30)(4-29)(5-30)(6-29)(7-29)(8-47)(9-48)(10-45)(11-49)(12-49)(13-37)(14-37)(15-36)(16-36)(17-35)(18-32)(19-32)(20-33)(21-31)(22-31)(23-32)(24-34)(25-31)(26-65)(27-65)(28-66)(29-41)(30-42)(31-43)(32-44)(33-34)(33-39)(34-40)(35-38)(35-51)(36-37)(36-57)(37-49)(38-45)(38-56)(39-42)(39-50)(40-44)(40-52)(41-42)(41-46)(43-44)(43-47)(45-67)(46-68)(47-69)(48-51)(48-67)(49-66)(50-52)(50-68)(51-65)(52-69)(53-71)(54-72)(55-73)(56-66)(56-70)(57-59)(57-77)(57-80)(58-62)(58-64)(58-78)(58-79)(59-63)(59-74)(59-76)(60-61)(60-63)(60-81)(60-82)(61-62)(61-83)(61-84)(62-85)(62-86)(63-87)(63-88)(64-75)(64-89)(64-90)(67-91)(68-91)(69-91)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 6.1 | — | 10.1021/om3003575 | 2012 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.