Info
| ID | 6257 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 3, "O": 3} |
| Abbreviation | 3b |
| SMILES | ClCc1cccnc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C33H22ClN3O3Re/(1-25)(2-26)(3-27)(4-23)(5-48)(6-49)(7-24)(8-29)(9-28)(10-46)(11-36)(12-31)(13-32)(14-34)(15-47)(16-30)(17-35)(18-33)(19-55)(20-38)(21-37)(22-55)(23-25)(23-39)(24-26)(24-39)(25-27)(26-27)(28-36)(28-42)(29-32)(29-40)(30-32)(30-35)(31-41)(31-46)(33-44)(33-47)(34-35)(34-40)(36-43)(37-38)(37-45)(38-48)(39-41)(40-44)(41-42)(42-50)(43-44)(43-51)(45-49)(45-55)(46-56)(47-57)(48-58)(49-58)(50-51)(50-56)(51-57)(52-59)(53-60)(54-61)(55-62)(56-63)(57-63)(58-63)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.52 | — | 10.1021/acsami.7b01764 | 2017 |
| A549cisR | 0.75 | — | 10.1021/acsami.7b01764 | 2017 |
| A549 | 3.4 | — | 10.1021/acsami.7b01764 | 2017 |
| LO2 | 19 | — | 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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