Info
| ID | 3547 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | α-Me2phen-7 |
| SMILES | Cc1ccnc(-c2cc(CCCCCCCc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.Cc1ccnc2c1ccc1c(C)ccnc12 |
TUCAN
C43H44N6Ru/(1-67)(2-62)(3-45)(4-45)(5-45)(6-47)(7-79)(8-53)(9-80)(10-52)(11-54)(12-55)(13-46)(14-49)(15-46)(16-47)(17-63)(18-61)(19-58)(20-51)(21-62)(22-46)(23-47)(24-65)(25-48)(26-48)(27-48)(28-78)(29-56)(30-64)(31-60)(32-65)(33-66)(34-57)(35-76)(36-59)(37-61)(38-66)(39-67)(40-81)(41-50)(42-77)(43-63)(44-64)(45-68)(46-69)(47-72)(48-71)(49-68)(49-76)(50-69)(50-77)(51-72)(51-80)(52-75)(52-79)(53-70)(53-85)(54-71)(54-83)(55-70)(55-81)(56-71)(56-78)(57-72)(57-84)(58-59)(58-73)(59-74)(60-75)(60-87)(61-62)(61-66)(62-70)(63-64)(63-67)(64-65)(65-75)(66-67)(68-73)(69-74)(73-82)(74-86)(76-90)(77-92)(78-91)(79-88)(80-89)(81-93)(82-86)(82-90)(83-87)(83-91)(84-85)(84-89)(85-93)(86-92)(87-88)(90-94)(91-94)(92-94)(93-94)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 1.5e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | 2.5e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| HepG2 | 3.6e+02 | — | 10.3389/fchem.2018.00595 | 2018 |
| BHK | — | — | 10.3389/fchem.2018.00595 | 2018 |
| Caco-2 | — | — | 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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