Info
| ID | 4241 |
| Metal | Ru |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"S": 1, "O": 1, "N": 3} |
| Abbreviation | RuDPNI |
| SMILES | CS(C)=O.O=C1c2cccc3cccc(c23)C(=O)N1c1cc2cccnc2c2ncccc12.[Cl-].[Cl-].[Cl-] |
TUCAN
C26H19N3O3RuS/(1-24)(2-29)(3-20)(4-28)(5-37)(6-21)(7-22)(8-38)(9-25)(10-30)(11-26)(12-23)(13-27)(14-44)(15-44)(16-44)(17-45)(18-45)(19-45)(20-21)(20-24)(21-31)(22-23)(22-31)(23-26)(24-32)(25-35)(25-39)(26-36)(27-30)(27-38)(28-29)(28-37)(29-34)(30-35)(31-33)(32-33)(32-42)(33-36)(34-39)(34-41)(35-40)(36-43)(37-47)(38-48)(39-46)(40-41)(40-48)(41-47)(42-46)(42-49)(43-46)(43-50)(44-52)(45-52)(47-53)(48-53)(51-52)(52-53)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 9.8 | — | 10.1016/j.apmt.2020.100558 | 2020 |
| HepG2 | 16 | — | 10.1016/j.apmt.2020.100558 | 2020 |
| NCI-H1299 | 22 | — | 10.1016/j.apmt.2020.100558 | 2020 |
| HELF | 27 | — | 10.1016/j.apmt.2020.100558 | 2020 |
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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