Info
| ID | 6258 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 3} |
| Abbreviation | 4b |
| SMILES | NCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C33H24N4O3Re/(1-28)(2-33)(3-26)(4-25)(5-52)(6-40)(7-27)(8-34)(9-30)(10-32)(11-29)(12-48)(13-37)(14-35)(15-38)(16-31)(17-36)(18-49)(19-51)(20-39)(21-52)(22-50)(23-58)(24-58)(25-26)(25-42)(26-28)(27-28)(27-30)(29-38)(29-41)(30-42)(31-34)(31-37)(32-34)(32-43)(33-44)(33-48)(35-46)(35-49)(36-37)(36-43)(38-45)(39-40)(39-47)(40-50)(41-44)(41-53)(42-44)(43-46)(45-46)(45-54)(47-51)(47-52)(48-59)(49-60)(50-61)(51-61)(52-58)(53-54)(53-59)(54-60)(55-62)(56-63)(57-64)(59-65)(60-65)(61-65)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 5.9 | — | 10.1021/acsami.7b01764 | 2017 |
| LO2 | 6.4 | — | 10.1021/acsami.7b01764 | 2017 |
| A549cisR | 8.5 | — | 10.1021/acsami.7b01764 | 2017 |
| A549 | 22 | — | 10.1021/acsami.7b01764 | 2017 |
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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