Info
| ID | 385 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru(II)-4 |
| SMILES | C(#Cc1cccs1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1 |
TUCAN
C49H38N8RuS/(1-50)(2-49)(3-39)(4-47)(5-39)(6-39)(7-45)(8-40)(9-46)(10-40)(11-71)(12-73)(13-53)(14-54)(15-58)(16-74)(17-52)(18-60)(19-61)(20-72)(21-40)(22-41)(23-41)(24-41)(25-62)(26-42)(27-42)(28-51)(29-55)(30-57)(31-48)(32-42)(33-76)(34-75)(35-59)(36-56)(37-86)(38-89)(39-63)(40-64)(41-68)(42-69)(43-44)(43-87)(44-67)(45-63)(45-77)(46-64)(46-78)(47-63)(47-71)(48-68)(48-79)(49-50)(49-67)(50-66)(51-52)(51-65)(52-72)(53-64)(53-73)(54-68)(54-74)(55-56)(55-66)(56-67)(57-62)(57-75)(58-69)(58-76)(59-69)(59-82)(60-61)(60-86)(61-87)(62-70)(65-80)(65-81)(66-85)(70-83)(70-84)(71-90)(72-92)(73-91)(74-94)(75-88)(76-95)(77-79)(77-90)(78-82)(78-91)(79-94)(80-83)(80-93)(81-84)(81-92)(82-95)(83-89)(84-88)(85-89)(85-93)(86-96)(87-96)(90-97)(91-97)(92-97)(93-97)(94-97)(95-97)(96-97)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 18 | — | 10.1016/j.jinorgbio.2020.11110... | 2020 |
| HeLa | 25 | — | 10.1016/j.jinorgbio.2020.11110... | 2020 |
| SGC-7901 | 29 | — | 10.1016/j.jinorgbio.2020.11110... | 2020 |
| HepG2 | 67 | — | 10.1016/j.jinorgbio.2020.11110... | 2020 |
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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