Info
| ID | 3791 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 1a |
| SMILES | [Cl-].c1cc(-c2nc3ccccc3[nH]2)nc(-c2nc3ccccc3[nH]2)c1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C31H21N7Ru/(1-29)(2-22)(3-41)(4-28)(5-27)(6-24)(7-31)(8-42)(9-33)(10-30)(11-25)(12-23)(13-38)(14-32)(15-37)(16-36)(17-35)(18-34)(19-26)(20-54)(21-55)(22-25)(22-41)(23-28)(23-47)(24-26)(24-39)(25-39)(26-40)(27-30)(27-44)(28-29)(29-46)(30-33)(31-32)(31-42)(32-40)(33-38)(34-36)(34-37)(35-36)(35-50)(37-49)(38-45)(39-43)(40-48)(41-56)(42-59)(43-48)(43-56)(44-45)(44-54)(45-53)(46-52)(46-58)(47-51)(47-58)(48-59)(49-50)(49-55)(50-57)(51-53)(51-54)(52-55)(52-57)(56-60)(57-60)(58-60)(59-60)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 67 | — | 10.1039/c1dt11950h | 2012 |
| Neuro-2a | 70 | — | 10.1039/c1dt11950h | 2012 |
| HeLa | 72 | — | 10.1039/c1dt11950h | 2012 |
| A375 | 75 | — | 10.1039/c1dt11950h | 2012 |
| MCF-7 | 84 | — | 10.1039/c1dt11950h | 2012 |
| Hs68 | 3.6e+02 | — | 10.1039/c1dt11950h | 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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