Info
| ID | 6355 |
| Metal | Re |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5, "O": 3} |
| Abbreviation | 1a |
| SMILES | 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
C32H20F17N5O4Re/(1-37)(2-37)(3-28)(4-28)(5-29)(6-29)(7-25)(8-21)(9-23)(10-33)(11-22)(12-24)(13-34)(14-27)(15-26)(16-36)(17-35)(18-54)(19-53)(20-53)(21-32)(21-40)(22-24)(22-30)(23-25)(23-30)(24-31)(25-33)(26-27)(26-31)(27-34)(28-29)(28-37)(29-51)(30-38)(31-39)(32-36)(32-44)(33-55)(34-56)(35-40)(35-57)(36-57)(37-54)(38-39)(38-55)(39-56)(40-53)(41-58)(42-59)(43-61)(44-54)(44-60)(45-48)(45-50)(45-66)(45-76)(46-47)(46-49)(46-71)(46-75)(47-51)(47-68)(47-72)(48-52)(48-64)(48-78)(49-50)(49-74)(49-77)(50-67)(50-73)(51-69)(51-70)(52-62)(52-63)(52-65)(55-79)(56-79)(57-79)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 4 | — | 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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