Info
| ID | 4163 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru3 |
| SMILES | Cc1ccc(O)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1 |
TUCAN
C44H38N8ORu/(1-55)(2-45)(3-68)(4-39)(5-46)(6-39)(7-69)(8-39)(9-47)(10-44)(11-52)(12-71)(13-72)(14-58)(15-54)(16-49)(17-56)(18-40)(19-40)(20-40)(21-42)(22-57)(23-50)(24-41)(25-67)(26-48)(27-42)(28-42)(29-43)(30-43)(31-51)(32-43)(33-70)(34-41)(35-53)(36-41)(37-84)(38-91)(39-59)(40-60)(41-62)(42-61)(43-64)(44-59)(44-68)(45-59)(45-73)(46-60)(46-74)(47-61)(47-77)(48-58)(48-62)(49-50)(49-66)(50-67)(51-64)(51-78)(52-60)(52-69)(53-54)(53-70)(54-63)(55-62)(55-65)(56-61)(56-71)(57-64)(57-72)(58-82)(63-75)(63-79)(65-81)(65-82)(66-76)(66-80)(67-83)(68-85)(69-86)(70-88)(71-87)(72-89)(73-77)(73-85)(74-78)(74-86)(75-76)(75-88)(76-83)(77-87)(78-89)(79-80)(79-90)(80-84)(81-84)(81-90)(82-91)(85-92)(86-92)(87-92)(88-92)(89-92)(90-92)(91-92)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 40 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| HepG2 | 42 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| A549 | 47 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| CNE-1 | 48 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
| LO2 | 1.4e+02 | — | 10.1016/j.jinorgbio.2018.11.01... | 2019 |
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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