Info
| ID | 3395 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5, "P": 1} |
| Abbreviation | 4 |
| SMILES | C1N2C[NH+]3CN1CP(C2)C3.C1N2C[NH+]3CN1CP(C2)C3.CC(=N[N-]C(=S)N(C)C)c1ccccn1.[Cl-] |
TUCAN
C22H39N10P2RuS/(1-44)(2-44)(3-44)(4-43)(5-50)(6-50)(7-51)(8-55)(9-55)(10-51)(11-52)(12-40)(13-45)(14-40)(15-41)(16-52)(17-56)(18-56)(19-57)(20-57)(21-49)(22-49)(23-54)(24-45)(25-42)(26-46)(27-45)(28-58)(29-59)(30-59)(31-60)(32-60)(33-58)(34-40)(35-53)(36-53)(37-54)(38-68)(39-69)(40-48)(41-42)(41-43)(42-47)(43-46)(44-63)(45-63)(46-62)(47-48)(47-62)(48-71)(49-64)(49-65)(50-64)(50-68)(51-65)(51-68)(52-66)(52-69)(53-66)(53-67)(54-67)(54-69)(55-68)(55-72)(56-64)(56-72)(57-65)(57-72)(58-69)(58-73)(59-66)(59-73)(60-67)(60-73)(61-63)(61-70)(61-74)(70-71)(70-75)(71-75)(72-75)(73-75)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 41M | 0.87 | — | 10.1002/ejic.200601196 | 2007 |
| SK-BR-3 | 39 | — | 10.1002/ejic.200601196 | 2007 |
| HT-29 | 47 | — | 10.1002/ejic.200601196 | 2007 |
| A549 | 1.9e+02 | — | 10.1002/ejic.200601196 | 2007 |
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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