Info
| ID | 6229 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | 3 |
| SMILES | OC[C@H]1O[C@H](Oc2ccc(NC(=S)NCCCCCCNC(=S)Nc3cccnc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C52H51N7O9ReS2/(1-53)(2-82)(3-52)(4-98)(5-60)(6-55)(7-97)(8-54)(9-56)(10-84)(11-57)(12-64)(13-99)(14-61)(15-66)(16-67)(17-74)(18-100)(19-101)(20-70)(21-69)(22-95)(23-74)(24-87)(25-95)(26-87)(27-59)(28-65)(29-68)(30-72)(31-75)(32-71)(33-83)(34-63)(35-62)(36-86)(37-73)(38-72)(39-73)(40-86)(41-85)(42-58)(43-75)(44-106)(45-107)(46-105)(47-104)(48-116)(49-114)(50-115)(51-118)(52-54)(52-77)(53-78)(53-82)(54-60)(55-56)(55-77)(56-60)(57-61)(57-81)(58-80)(58-83)(59-66)(59-81)(61-67)(62-63)(62-90)(63-84)(64-69)(64-96)(65-68)(65-76)(66-67)(68-79)(69-91)(70-71)(70-96)(71-91)(72-73)(72-74)(73-75)(74-87)(75-86)(76-78)(76-88)(77-78)(79-80)(79-89)(80-81)(82-108)(83-109)(84-110)(85-90)(85-110)(86-104)(87-107)(88-89)(88-108)(89-109)(90-105)(91-106)(92-111)(93-112)(94-113)(95-100)(95-118)(96-117)(97-99)(97-100)(97-114)(98-99)(98-101)(98-115)(99-116)(100-119)(101-117)(101-119)(102-104)(102-105)(102-120)(103-106)(103-107)(103-121)(108-122)(109-122)(110-122)(118-122)(119-122)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 20 | — | 10.1002/chem.201101399 | 2011 |
| HEK293T | 41 | — | 10.1002/chem.201101399 | 2011 |
| HeLa | 69 | — | 10.1002/chem.201101399 | 2011 |
| NIH-3T3 | — | — | 10.1002/chem.201101399 | 2011 |
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.