Info
| ID | 6157 |
| Metal | Re |
| Oxidation state | 1 |
| Charge | 1 |
| Donor atoms | {"N": 2, "O": 3} |
| Abbreviation | 10 |
| SMILES | COc1ccnc(-c2cc(OC)ccn2)c1.O.[C-]#[O+].[C-]#[O+].[C-]#[O+] |
TUCAN
C15H12N2O5Re/(1-24)(2-17)(3-24)(4-13)(5-24)(6-16)(7-25)(8-25)(9-14)(10-25)(11-15)(12-18)(13-17)(13-26)(14-19)(14-26)(15-20)(15-27)(16-18)(16-27)(17-28)(18-29)(19-20)(19-28)(20-29)(21-30)(22-31)(23-32)(24-33)(25-34)(26-33)(27-34)(28-35)(29-35)(33-35)(34-35)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| KB-3-1 | 0.77 | — | 10.1021/jacs.7b08640 | 2017 |
| A2780 | 2.2 | — | 10.1021/jacs.7b08640 | 2017 |
| A2780-CP70 | 2.8 | — | 10.1021/jacs.7b08640 | 2017 |
| A549cisR | 5.7 | — | 10.1021/jacs.7b08640 | 2017 |
| MRC-5 | 6 | — | 10.1021/jacs.7b08640 | 2017 |
| KBCP20 | 7.2 | — | 10.1021/jacs.7b08640 | 2017 |
| H460cisR | 8 | — | 10.1021/jacs.7b08640 | 2017 |
| HeLa | 8.8 | — | 10.1021/jacs.7b08640 | 2017 |
| NCI-H460 | 9 | — | 10.1021/jacs.7b08640 | 2017 |
| A549 | 9.7 | — | 10.1021/jacs.7b08640 | 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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