Info
| ID | 2391 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 5} |
| Abbreviation | 6 |
| SMILES | CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cc1ccc(C(C)C)cc1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C40H48ClN5Ru/(1-55)(2-51)(3-51)(4-58)(5-57)(6-51)(7-59)(8-52)(9-77)(10-79)(11-52)(12-56)(13-60)(14-49)(15-49)(16-61)(17-78)(18-81)(19-81)(20-70)(21-70)(22-65)(23-66)(24-53)(25-49)(26-53)(27-53)(28-80)(29-64)(30-62)(31-69)(32-52)(33-68)(34-63)(35-50)(36-50)(37-50)(38-76)(39-67)(40-80)(41-87)(42-82)(43-54)(44-54)(45-54)(46-82)(47-69)(48-89)(49-87)(50-73)(51-76)(52-76)(53-80)(54-82)(55-59)(55-72)(56-62)(56-71)(57-58)(57-72)(58-77)(59-75)(60-78)(60-83)(61-84)(61-88)(62-73)(63-64)(63-73)(64-71)(65-66)(65-88)(66-74)(67-68)(67-75)(68-79)(69-70)(69-87)(70-81)(71-76)(72-85)(74-83)(74-84)(75-86)(77-91)(78-92)(79-93)(80-90)(81-90)(82-90)(83-89)(84-92)(85-86)(85-91)(86-93)(87-89)(88-94)(91-95)(92-95)(93-95)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
| MDA-MB-231 | — | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
| MCF-7 | — | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
| L-929 | — | — | 10.1016/j.jinorgbio.2015.07.01... | 2015 |
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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