Info
| ID | 179 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 4j |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1nc(N=Cc2ccccn2)c(Br)cc1Br.[Cl-] |
TUCAN
C22H23Br2N3Ru/(1-29)(2-30)(3-26)(4-26)(5-38)(6-35)(7-24)(8-32)(9-24)(10-33)(11-28)(12-39)(13-34)(14-24)(15-40)(16-25)(17-25)(18-31)(19-26)(20-25)(21-27)(22-27)(23-27)(24-41)(25-36)(26-38)(27-38)(28-33)(28-42)(29-30)(29-36)(30-37)(31-35)(31-37)(32-33)(32-40)(34-44)(34-45)(35-36)(37-38)(39-42)(39-47)(40-46)(41-45)(41-48)(42-46)(43-44)(43-47)(43-48)(44-49)(45-50)(47-51)(48-51)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 8 | — | 10.1016/j.bmcl.2016.04.005 | 2016 |
| MCF-7 | 8 | — | 10.1016/j.bmcl.2016.04.005 | 2016 |
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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