Info
| ID | 3900 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 1a |
| SMILES | C/C(=N/N=c1/[nH]c2ccccc2c2[nH]c3ccc(C)cc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C33H33N5Ru/(1-44)(2-34)(3-39)(4-40)(5-34)(6-34)(7-59)(8-38)(9-43)(10-60)(11-36)(12-36)(13-41)(14-45)(15-50)(16-35)(17-42)(18-38)(19-35)(20-36)(21-52)(22-37)(23-37)(24-51)(25-48)(26-47)(27-35)(28-49)(29-46)(30-38)(31-37)(32-69)(33-68)(34-59)(35-54)(36-59)(37-63)(38-56)(39-40)(39-53)(40-54)(41-42)(41-53)(42-54)(43-44)(43-56)(44-61)(45-46)(45-64)(46-47)(47-60)(48-55)(48-56)(49-50)(49-57)(50-51)(51-52)(52-65)(53-59)(55-58)(55-61)(57-62)(57-65)(58-62)(58-66)(60-67)(61-68)(62-68)(63-64)(63-71)(64-67)(65-69)(66-69)(66-70)(70-71)(70-72)(71-72)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SW480 | 0.13 | — | 10.1016/j.ica.2012.06.004 | 2012 |
| CH-1 | 0.22 | — | 10.1016/j.ica.2012.06.004 | 2012 |
| A549 | 2.3 | — | 10.1016/j.ica.2012.06.004 | 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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