Info
| ID | 6175 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 3} |
| Abbreviation | 1 |
| SMILES | O=C(NC[C@@]1(O)OC(O)(CO)[C@@H](O)[C@@H]1O)c1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C39H32N4O10Re/(1-45)(2-35)(3-47)(4-57)(5-33)(6-34)(7-38)(8-41)(9-39)(10-37)(11-46)(12-66)(13-67)(14-60)(15-60)(16-68)(17-66)(18-43)(19-42)(20-36)(21-40)(22-44)(23-59)(24-48)(25-58)(26-56)(27-72)(28-80)(29-84)(30-83)(31-82)(32-81)(33-35)(33-45)(34-38)(34-45)(35-51)(36-44)(36-49)(37-39)(37-47)(38-51)(39-53)(40-48)(40-55)(41-50)(41-57)(42-43)(42-53)(43-47)(44-52)(46-54)(46-58)(48-59)(49-50)(49-61)(50-51)(52-54)(52-62)(53-54)(55-56)(55-69)(56-74)(57-73)(58-75)(59-74)(60-71)(60-72)(61-62)(61-73)(62-75)(63-76)(64-77)(65-78)(66-70)(66-83)(67-68)(67-71)(67-81)(68-70)(68-80)(69-72)(69-79)(70-84)(70-85)(71-82)(71-85)(73-86)(74-86)(75-86)(82-86)(83-86)(84-86)(85-86)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NIH-3T3 | 2.1 | — | 10.1021/om400612f | 2013 |
| MDA-MB-231 | 4.9 | — | 10.1021/om400612f | 2013 |
| HEK293T | 6.7 | — | 10.1021/om400612f | 2013 |
| MCF-7 | 9.6 | — | 10.1021/om400612f | 2013 |
| A549 | 27 | — | 10.1021/om400612f | 2013 |
| HepG2 | 34 | — | 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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.