Info
| ID | 3838 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | 5a |
| SMILES | C/C(=N/N=c1/[nH]c2ccc(Cl)cc2c2[nH]c3ccccc3c12)c1ccccn1.Cc1ccc(C(C)C)cc1.[Cl-] |
TUCAN
C32H30ClN5Ru/(1-46)(2-54)(3-31)(4-36)(5-31)(6-31)(7-35)(8-33)(9-43)(10-37)(11-33)(12-32)(13-38)(14-40)(15-32)(16-55)(17-44)(18-41)(19-32)(20-33)(21-34)(22-34)(23-34)(24-45)(25-39)(26-47)(27-42)(28-48)(29-64)(30-65)(31-54)(32-49)(33-54)(34-58)(35-36)(35-49)(36-53)(37-43)(37-53)(38-50)(38-62)(39-40)(39-56)(40-41)(41-55)(42-45)(42-52)(43-49)(44-48)(44-60)(45-48)(46-47)(46-62)(47-59)(50-57)(50-59)(51-52)(51-57)(51-61)(52-60)(53-54)(55-63)(56-58)(56-63)(57-64)(58-66)(59-65)(60-64)(61-65)(61-67)(62-68)(66-67)(66-69)(67-69)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CH-1 | 3.8 | — | 10.1021/om101004z | 2010 |
| CH-1 | 3.8 | — | 10.1016/j.ica.2012.06.004 | 2012 |
| SW480 | 5 | — | 10.1021/om101004z | 2010 |
| SW480 | 5 | — | 10.1016/j.ica.2012.06.004 | 2012 |
| A549 | 9.3 | — | 10.1021/om101004z | 2010 |
| A549 | 9.3 | — | 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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