Info
| ID | 6176 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 3} |
| Abbreviation | 2 |
| SMILES | CCNC(=O)c1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C35H26N4O4Re/(1-28)(2-33)(3-31)(4-37)(5-30)(6-39)(7-55)(8-53)(9-34)(10-32)(11-35)(12-51)(13-52)(14-29)(15-40)(16-36)(17-38)(18-41)(19-27)(20-43)(21-55)(22-27)(23-42)(24-54)(25-27)(26-62)(27-55)(28-30)(28-31)(29-45)(29-51)(30-33)(31-47)(32-33)(32-47)(34-35)(34-44)(35-46)(36-49)(36-52)(37-39)(37-40)(38-39)(38-41)(40-48)(41-48)(42-43)(42-50)(43-53)(44-45)(44-56)(45-47)(46-49)(46-57)(48-49)(50-54)(50-61)(51-63)(52-64)(53-65)(54-65)(55-62)(56-57)(56-63)(57-64)(58-66)(59-67)(60-68)(61-62)(61-69)(63-70)(64-70)(65-70)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NIH-3T3 | 1.8 | — | 10.1021/om400612f | 2013 |
| HEK293T | 2.1 | — | 10.1021/om400612f | 2013 |
| MDA-MB-231 | 2.3 | — | 10.1021/om400612f | 2013 |
| A549 | 2.6 | — | 10.1021/om400612f | 2013 |
| MCF-7 | 3.9 | — | 10.1021/om400612f | 2013 |
| HepG2 | 5.7 | — | 10.1021/om400612f | 2013 |
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.