Info
| ID | 6247 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 5, "O": 3} |
| Abbreviation | 3-Et-NH2 |
| SMILES | CCNC(=O)c1cncc(N)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C35H27N5O4Re/(1-29)(2-36)(3-37)(4-32)(5-34)(6-31)(7-43)(8-42)(9-33)(10-51)(11-52)(12-30)(13-41)(14-35)(15-39)(16-38)(17-40)(18-28)(19-55)(20-53)(21-28)(22-28)(23-55)(24-54)(25-63)(26-63)(27-64)(28-55)(29-31)(29-32)(30-44)(30-51)(31-48)(32-37)(33-37)(33-48)(34-38)(34-40)(35-38)(35-49)(36-42)(36-46)(39-40)(39-49)(41-45)(41-52)(42-47)(43-50)(43-58)(44-46)(44-48)(45-47)(45-49)(46-56)(47-57)(50-54)(50-62)(51-65)(52-66)(53-58)(53-67)(54-67)(55-64)(56-57)(56-65)(57-66)(58-63)(59-68)(60-69)(61-70)(62-64)(62-71)(65-72)(66-72)(67-72)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 3.6 | — | 10.1021/ic301948d | 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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