Info
| ID | 2455 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"O": 1, "N": 5} |
| Abbreviation | 4 |
| SMILES | O=[N+]([O-])c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C43H27N9O2Ru/(1-55)(2-29)(3-45)(4-38)(5-28)(6-30)(7-56)(8-34)(9-31)(10-36)(11-35)(12-39)(13-37)(14-60)(15-46)(16-47)(17-57)(18-41)(19-42)(20-40)(21-32)(22-33)(23-44)(24-58)(25-43)(26-59)(27-72)(28-29)(28-48)(29-55)(30-35)(30-49)(31-40)(31-56)(32-47)(32-58)(33-46)(33-50)(34-36)(34-48)(35-57)(36-49)(37-41)(37-51)(38-39)(38-45)(39-69)(40-51)(41-53)(42-43)(42-59)(43-53)(44-45)(44-52)(46-60)(47-54)(48-61)(49-62)(50-64)(50-67)(51-63)(52-69)(52-70)(53-66)(54-65)(54-68)(55-74)(56-75)(57-76)(58-71)(59-78)(60-79)(61-62)(61-74)(62-76)(63-66)(63-75)(64-68)(64-77)(65-67)(65-71)(66-78)(67-79)(68-72)(69-73)(70-72)(70-77)(73-80)(73-81)(74-82)(75-82)(76-82)(77-82)(78-82)(79-82)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| KB | 24 | — | 10.1016/j.jinorgbio.2007.07.03... | 2007 |
| L1210 | 25 | — | 10.1016/j.jinorgbio.2007.07.03... | 2007 |
| BEL-7402 | 28 | — | 10.1016/j.jinorgbio.2007.07.03... | 2007 |
| HL60 | 32 | — | 10.1016/j.jinorgbio.2007.07.03... | 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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