Info
| ID | 3386 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 1 |
| SMILES | COc1ccc(OC)c2nc3c4cccnc4c4ncccc4c3nc12.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2ccccn2)c1 |
TUCAN
C43H36N8O2Ru/(1-60)(2-42)(3-40)(4-62)(5-37)(6-43)(7-41)(8-38)(9-47)(10-45)(11-38)(12-76)(13-76)(14-50)(15-54)(16-46)(17-76)(18-77)(19-49)(20-37)(21-64)(22-44)(23-37)(24-65)(25-48)(26-63)(27-51)(28-77)(29-61)(30-39)(31-39)(32-53)(33-52)(34-39)(35-38)(36-77)(37-55)(38-56)(39-59)(40-43)(40-60)(41-55)(41-70)(42-56)(42-69)(43-44)(44-66)(45-55)(45-62)(46-54)(46-58)(47-59)(47-74)(48-59)(48-64)(49-52)(49-65)(50-51)(50-78)(51-79)(52-57)(53-56)(53-63)(54-61)(57-67)(57-72)(58-68)(58-73)(60-82)(61-86)(62-83)(63-85)(64-84)(65-81)(66-69)(66-82)(67-68)(67-80)(68-87)(69-85)(70-74)(70-83)(71-75)(71-78)(71-87)(72-73)(72-81)(73-86)(74-84)(75-79)(75-80)(76-88)(77-89)(78-88)(79-89)(82-90)(83-90)(84-90)(85-90)(86-90)(87-90)(88-90)(89-90)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 15 | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| MG-63 | 20 | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| A549 | 94 | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| HeLa | 95 | — | 10.1016/j.jinorgbio.2014.09.00... | 2014 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2014.09.00... | 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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