Info
| ID | 6356 |
| Metal | Re |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 4, "O": 2} |
| Abbreviation | 1c |
| SMILES | CCNC(=S)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+].c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C35H25F17N6O4ReS/(1-27)(2-39)(3-26)(4-42)(5-26)(6-40)(7-44)(8-44)(9-35)(10-35)(11-41)(12-32)(13-34)(14-29)(15-28)(16-34)(17-33)(18-31)(19-30)(20-43)(21-43)(22-26)(23-62)(24-63)(25-61)(26-43)(27-38)(27-47)(28-32)(28-36)(29-30)(29-36)(30-37)(31-33)(31-37)(32-39)(33-41)(34-35)(34-54)(35-44)(36-45)(37-46)(38-40)(38-51)(39-64)(40-66)(41-65)(42-47)(42-66)(43-61)(44-62)(45-46)(45-64)(46-65)(47-63)(48-67)(49-68)(50-70)(51-62)(51-69)(52-56)(52-58)(52-75)(52-76)(53-55)(53-57)(53-71)(53-79)(54-55)(54-77)(54-78)(55-80)(55-81)(56-57)(56-82)(56-87)(57-85)(57-86)(58-59)(58-74)(58-84)(59-72)(59-73)(59-83)(60-61)(60-63)(60-88)(64-89)(65-89)(66-89)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 13 | — | 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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