Info
| ID | 3671 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | RuphenBiHim |
| SMILES | NCCc1c[nH]cn1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C29H25N7Ru/(1-43)(2-31)(3-26)(4-33)(5-44)(6-38)(7-38)(8-47)(9-28)(10-35)(11-45)(12-37)(13-27)(14-34)(15-48)(16-48)(17-29)(18-30)(19-46)(20-36)(21-32)(22-54)(23-55)(24-55)(25-56)(26-31)(26-39)(27-29)(27-39)(28-35)(28-40)(29-40)(30-32)(30-41)(31-43)(32-42)(33-34)(33-44)(34-41)(35-45)(36-37)(36-42)(37-46)(38-48)(38-52)(39-49)(40-50)(41-51)(42-53)(43-57)(44-58)(45-59)(46-61)(47-52)(47-56)(48-55)(49-50)(49-57)(50-59)(51-53)(51-58)(52-60)(53-61)(54-56)(54-60)(57-62)(58-62)(59-62)(60-62)(61-62)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 p53-/- | 1 | — | 10.1021/jm5005946 | 2014 |
| HCT-116 p53+/+ | 1.6 | — | 10.1021/jm5005946 | 2014 |
| A2780 | 1.6 | — | 10.1021/jm5005946 | 2014 |
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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