Info
| ID | 4743 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 3a |
| SMILES | COC(=O)c1c(C)nn(-c2ccccn2)c1-c1ccccc1O.[Cl-].c1ccccc1 |
TUCAN
C23H21N3O3Ru/(1-23)(2-24)(3-35)(4-25)(5-26)(6-31)(7-32)(8-38)(9-27)(10-29)(11-33)(12-22)(13-34)(14-30)(15-28)(16-22)(17-22)(18-42)(19-42)(20-42)(21-49)(22-40)(23-24)(23-25)(24-26)(25-27)(26-28)(27-28)(29-30)(29-35)(30-31)(31-36)(32-34)(32-41)(33-34)(33-38)(35-43)(36-39)(36-43)(37-39)(37-40)(37-44)(38-46)(39-45)(40-47)(41-45)(41-46)(42-50)(43-49)(44-48)(44-50)(45-47)(46-51)(47-51)(50-51)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NALM6 | 1.9e+02 | — | 10.1016/j.poly.2019.04.065 | 2019 |
| HL60 | 4.6e+02 | — | 10.1016/j.poly.2019.04.065 | 2019 |
| WM115 | 6.3e+02 | — | 10.1016/j.poly.2019.04.065 | 2019 |
| COLO-205 | 6.3e+02 | — | 10.1016/j.poly.2019.04.065 | 2019 |
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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