Info
| ID | 6245 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 5, "O": 3} |
| Abbreviation | 1-Et-NH2 |
| SMILES | CCNC(=O)c1cncc(N)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C23H19N5O4Re/(1-33)(2-22)(3-31)(4-32)(5-35)(6-20)(7-34)(8-20)(9-20)(10-35)(11-24)(12-21)(13-23)(14-26)(15-27)(16-25)(17-44)(18-43)(19-43)(20-35)(21-22)(21-28)(22-31)(23-26)(23-28)(24-25)(24-32)(25-29)(26-29)(27-30)(27-38)(28-36)(29-37)(30-34)(30-42)(31-45)(32-46)(33-38)(33-47)(34-47)(35-44)(36-37)(36-45)(37-46)(38-43)(39-48)(40-49)(41-50)(42-44)(42-51)(45-52)(46-52)(47-52)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 15 | — | 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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