Info
| ID | 6226 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1} |
| Abbreviation | 3b |
| SMILES | CCNC(=S)Nc1cncc(C(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C48H47N9O6ReS2/(1-51)(2-49)(3-75)(4-50)(5-61)(6-58)(7-54)(8-56)(9-53)(10-57)(11-76)(12-55)(13-85)(14-81)(15-81)(16-48)(17-48)(18-48)(19-77)(20-78)(21-79)(22-80)(23-80)(24-79)(25-59)(26-60)(27-63)(28-65)(29-66)(30-93)(31-62)(32-86)(33-93)(34-64)(35-67)(36-65)(37-67)(38-64)(39-52)(40-94)(41-66)(42-98)(43-100)(44-101)(45-96)(46-97)(47-99)(48-79)(49-53)(49-68)(50-52)(50-69)(51-71)(51-75)(52-73)(53-58)(54-57)(54-68)(55-59)(55-70)(56-74)(56-84)(57-58)(59-60)(60-63)(61-72)(61-76)(62-63)(62-70)(64-66)(64-94)(65-67)(65-90)(66-67)(68-71)(69-71)(69-82)(70-72)(72-73)(73-83)(74-77)(74-91)(75-102)(76-103)(77-104)(78-84)(78-104)(79-96)(80-81)(80-100)(81-98)(82-83)(82-102)(83-103)(84-101)(85-86)(85-94)(85-97)(86-93)(86-99)(87-105)(88-108)(89-109)(90-98)(90-107)(91-100)(91-110)(92-97)(92-99)(92-106)(93-112)(94-112)(95-96)(95-101)(95-111)(102-113)(103-113)(104-113)(112-113)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 28 | — | 10.1021/ic701675c | 2007 |
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.