Info
| ID | 2188 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 3 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C44H32N11Ru/(1-60)(2-61)(3-62)(4-33)(5-46)(6-36)(7-35)(8-43)(9-34)(10-39)(11-64)(12-37)(13-40)(14-52)(15-42)(16-41)(17-49)(18-48)(19-50)(20-38)(21-63)(22-47)(23-51)(24-65)(25-44)(26-45)(27-81)(28-77)(29-77)(30-78)(31-80)(32-78)(33-35)(33-60)(34-43)(34-61)(35-53)(36-38)(36-53)(37-48)(37-62)(38-54)(39-46)(39-74)(40-41)(40-59)(41-63)(42-52)(42-55)(43-54)(44-45)(44-56)(45-58)(46-57)(47-51)(47-57)(48-56)(49-50)(49-64)(50-58)(51-74)(52-65)(53-66)(54-67)(55-70)(55-71)(56-68)(57-75)(58-72)(59-69)(59-73)(60-82)(61-83)(62-85)(63-79)(64-87)(65-86)(66-67)(66-82)(67-83)(68-72)(68-85)(69-71)(69-79)(70-73)(70-84)(71-86)(72-87)(73-81)(74-80)(75-81)(75-84)(76-77)(76-78)(76-80)(82-88)(83-88)(84-88)(85-88)(86-88)(87-88)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 28 | 0.44 | 10.1016/j.jinorgbio.2016.09.00... | 2016 |
| HeLa | 33 | 2.9 | 10.1016/j.jinorgbio.2016.09.00... | 2016 |
| CNE-2 | 35 | 6.2 | 10.1016/j.jinorgbio.2016.09.00... | 2016 |
| MCF-7 | 43 | 3.7 | 10.1016/j.jinorgbio.2016.09.00... | 2016 |
| HepG2 | 89 | 10 | 10.1016/j.jinorgbio.2016.09.00... | 2016 |
| LO2 | 1.1e+02 | 91 | 10.1016/j.jinorgbio.2016.09.00... | 2016 |
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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