Info
| ID | 3550 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | α-phen-12 |
| SMILES | Cc1ccnc(-c2cc(CCCCCCCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C46H50N6Ru/(1-72)(2-57)(3-68)(4-64)(5-75)(6-58)(7-61)(8-51)(9-60)(10-59)(11-69)(12-69)(13-88)(14-51)(15-51)(16-89)(17-62)(18-68)(19-54)(20-75)(21-90)(22-72)(23-71)(24-56)(25-73)(26-71)(27-65)(28-73)(29-76)(30-63)(31-52)(32-52)(33-52)(34-66)(35-87)(36-76)(37-77)(38-77)(39-70)(40-85)(41-86)(42-67)(43-74)(44-74)(45-67)(46-70)(47-53)(48-55)(49-78)(50-78)(51-81)(52-83)(53-54)(53-85)(54-79)(55-56)(55-86)(56-80)(57-83)(57-92)(58-82)(58-93)(59-82)(59-88)(60-81)(60-94)(61-81)(61-89)(62-84)(62-90)(63-83)(63-87)(64-65)(64-79)(65-80)(66-84)(66-96)(67-70)(67-74)(68-71)(68-75)(69-73)(69-82)(70-71)(72-74)(72-76)(73-75)(76-78)(77-78)(77-84)(79-91)(80-95)(85-99)(86-102)(87-100)(88-101)(89-98)(90-97)(91-95)(91-99)(92-96)(92-100)(93-94)(93-101)(94-98)(95-102)(96-97)(99-103)(100-103)(101-103)(102-103)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 19 | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | 85 | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | 92 | — | 10.3389/fchem.2018.00595 | 2018 |
| HepG2 | 94 | — | 10.3389/fchem.2018.00595 | 2018 |
| Caco-2 | 1.8e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| Caco-2 | 2.3e+02 | — | 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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