Info
| ID | 1994 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | 2a |
| SMILES | CC1=C/C(=N\NC(=O)c2cccnc2)c2c(O)cccc2C1=O.Cc1ccc(C(C)C)cc1.[Cl-].[Cl-] |
TUCAN
C27H27N3O3Ru/(1-41)(2-32)(3-28)(4-28)(5-28)(6-35)(7-29)(8-29)(9-30)(10-33)(11-30)(12-34)(13-50)(14-48)(15-30)(16-31)(17-31)(18-31)(19-39)(20-38)(21-37)(22-29)(23-49)(24-40)(25-36)(26-55)(27-60)(28-48)(29-42)(30-48)(31-45)(32-33)(32-43)(33-42)(34-35)(34-42)(35-43)(36-37)(36-38)(37-44)(38-53)(39-45)(39-51)(40-41)(40-49)(41-47)(43-48)(44-46)(44-52)(45-52)(46-51)(46-53)(47-50)(47-54)(49-56)(50-56)(51-57)(52-58)(53-60)(54-55)(54-59)(55-57)(56-61)(57-61)(60-61)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| KB-V1/Vbl | 0.9 | — | 10.1016/j.jinorgbio.2014.04.02... | 2014 |
| 518A2 | 1.3 | — | 10.1016/j.jinorgbio.2014.04.02... | 2014 |
| HCT-116 | 9.7 | — | 10.1016/j.jinorgbio.2014.04.02... | 2014 |
| CHF | — | — | 10.1016/j.jinorgbio.2014.04.02... | 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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