Info
| ID | 3669 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ruphen1MeIm |
| SMILES | Cn1ccnc1.Cn1ccnc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C32H28N8Ru/(1-47)(2-49)(3-51)(4-45)(5-30)(6-32)(7-36)(8-45)(9-52)(10-33)(11-38)(12-29)(13-37)(14-31)(15-59)(16-60)(17-45)(18-46)(19-48)(20-53)(21-34)(22-35)(23-39)(24-40)(25-50)(26-54)(27-46)(28-46)(29-31)(29-41)(30-33)(30-47)(31-42)(32-39)(32-49)(33-41)(34-35)(34-43)(35-44)(36-38)(36-51)(37-40)(37-52)(38-42)(39-43)(40-44)(41-55)(42-56)(43-57)(44-58)(45-61)(46-62)(47-64)(48-50)(48-63)(49-65)(50-61)(51-66)(52-67)(53-54)(53-68)(54-62)(55-56)(55-64)(56-66)(57-58)(57-65)(58-67)(59-61)(59-63)(60-62)(60-68)(63-69)(64-69)(65-69)(66-69)(67-69)(68-69)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 p53+/+ | 4 | — | 10.1021/jm5005946 | 2014 |
| HCT-116 p53-/- | 5.1 | — | 10.1021/jm5005946 | 2014 |
| A2780 | 6.9 | — | 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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