Info
| ID | 3504 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | C1=Cc2ccc3c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)ccc4c3c2C(=CC4)C1.c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1 |
TUCAN
C49H36N10Ru/(1-74)(2-57)(3-56)(4-43)(5-38)(6-45)(7-71)(8-37)(9-59)(10-72)(11-51)(12-61)(13-42)(14-52)(15-60)(16-44)(17-47)(18-60)(19-58)(20-75)(21-46)(22-41)(23-54)(24-73)(25-50)(26-40)(27-48)(28-39)(29-61)(30-76)(31-49)(32-53)(33-55)(34-87)(35-89)(36-88)(37-45)(37-81)(38-45)(38-71)(39-50)(39-62)(40-41)(40-64)(41-75)(42-43)(42-67)(43-63)(44-47)(44-82)(46-48)(46-83)(47-51)(48-52)(49-53)(49-85)(50-69)(51-72)(52-73)(53-54)(54-76)(55-58)(55-69)(56-57)(56-68)(57-74)(58-61)(59-60)(59-70)(60-67)(61-70)(62-63)(62-66)(63-84)(64-77)(64-80)(65-66)(65-69)(65-70)(66-67)(68-78)(68-79)(71-90)(72-91)(73-92)(74-86)(75-95)(76-94)(77-79)(77-93)(78-80)(78-86)(79-88)(80-95)(81-87)(81-90)(82-89)(82-91)(83-87)(83-92)(84-88)(84-93)(85-89)(85-94)(90-96)(91-96)(92-96)(93-96)(94-96)(95-96)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 10 | — | 10.1016/j.ejmech.2013.11.005 | 2014 |
| HeLa | 15 | — | 10.1016/j.ejmech.2013.11.005 | 2014 |
| DU-145 | 36 | — | 10.1016/j.ejmech.2013.11.005 | 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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