Info
| ID | 4390 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 3b |
| SMILES | Brc1cc[c-]c(-c2ccccn2)c1.CC#N.CC#N.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C27H21BrN5Ru/(1-42)(2-43)(3-22)(4-22)(5-22)(6-23)(7-29)(8-36)(9-26)(10-44)(11-35)(12-32)(13-25)(14-31)(15-34)(16-23)(17-23)(18-33)(19-28)(20-30)(21-27)(22-40)(23-41)(24-28)(24-39)(25-31)(25-37)(26-36)(26-46)(27-39)(27-48)(28-30)(29-32)(29-37)(30-48)(31-42)(32-38)(33-34)(33-38)(34-43)(35-36)(35-44)(37-45)(38-47)(39-46)(40-49)(41-50)(42-51)(43-52)(44-53)(45-47)(45-51)(46-53)(47-52)(48-54)(51-55)(52-55)(53-55)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 1 | — | 10.1039/c1dt10322a | 2011 |
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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