Info
| ID | 3549 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6, "O": 1} |
| Abbreviation | α-NO₂phen-7 |
| SMILES | Cc1ccnc(-c2cc(CCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.O=[N+]([O-])c1cc2cccnc2c2ncccc12 |
TUCAN
C41H39N7O2Ru/(1-61)(2-45)(3-57)(4-42)(5-58)(6-70)(7-46)(8-40)(9-47)(10-72)(11-40)(12-40)(13-71)(14-49)(15-57)(16-43)(17-58)(18-48)(19-61)(20-55)(21-51)(22-55)(23-56)(24-69)(25-54)(26-41)(27-41)(28-44)(29-52)(30-53)(31-56)(32-59)(33-60)(34-68)(35-73)(36-60)(37-59)(38-41)(39-50)(40-63)(41-64)(42-43)(42-65)(43-68)(44-53)(44-62)(45-67)(45-70)(46-63)(46-71)(47-63)(47-77)(48-66)(48-78)(49-64)(49-76)(50-64)(50-69)(51-66)(51-72)(52-65)(52-75)(53-73)(54-67)(54-80)(55-57)(55-60)(56-58)(56-66)(57-58)(59-60)(59-61)(61-67)(62-74)(62-75)(65-79)(68-84)(69-86)(70-82)(71-81)(72-87)(73-85)(74-79)(74-85)(75-83)(76-80)(76-86)(77-78)(77-81)(78-87)(79-84)(80-82)(83-88)(83-89)(84-90)(85-90)(86-90)(87-90)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 99 | — | 10.3389/fchem.2018.00595 | 2018 |
| Caco-2 | 1.2e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| Caco-2 | 1.3e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| HepG2 | 1.4e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | — | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | — | — | 10.3389/fchem.2018.00595 | 2018 |
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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