Info
| ID | 3546 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | α-phen-7 |
| SMILES | Cc1ccnc(-c2cc(CCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C41H40N6Ru/(1-63)(2-52)(3-57)(4-54)(5-47)(6-51)(7-49)(8-41)(9-41)(10-41)(11-74)(12-50)(13-58)(14-44)(15-58)(16-73)(17-62)(18-60)(19-46)(20-48)(21-57)(22-55)(23-75)(24-56)(25-42)(26-62)(27-42)(28-42)(29-60)(30-70)(31-71)(32-59)(33-61)(34-63)(35-61)(36-59)(37-43)(38-45)(39-72)(40-53)(41-66)(42-68)(43-44)(43-70)(44-64)(45-46)(45-71)(46-65)(47-67)(47-75)(48-66)(48-78)(49-66)(49-74)(50-69)(50-73)(51-67)(51-79)(52-68)(52-77)(53-68)(53-72)(54-55)(54-64)(55-65)(56-69)(56-81)(57-58)(57-60)(58-67)(59-60)(59-61)(61-63)(62-63)(62-69)(64-76)(65-80)(70-84)(71-87)(72-85)(73-82)(74-83)(75-86)(76-80)(76-84)(77-81)(77-85)(78-79)(78-83)(79-86)(80-87)(81-82)(84-88)(85-88)(86-88)(87-88)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| Caco-2 | 2.2e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | 2.5e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| HepG2 | 3.1e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| HepG2 | 3.2e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | — | — | 10.3389/fchem.2018.00595 | 2018 |
| Caco-2 | — | — | 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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