Info
| ID | 740 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | GRBA |
| SMILES | Cc1ccnc(-c2cc(C(=O)Nc3ccc4cc5ccccc5cc4c3)ccn2)c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1 |
TUCAN
C46H35N7ORu/(1-54)(2-47)(3-48)(4-49)(5-68)(6-50)(7-53)(8-37)(9-43)(10-46)(11-41)(12-42)(13-59)(14-38)(15-45)(16-51)(17-69)(18-36)(19-71)(20-39)(21-44)(22-40)(23-57)(24-55)(25-36)(26-36)(27-61)(28-52)(29-60)(30-70)(31-72)(32-56)(33-58)(34-73)(35-82)(36-62)(37-46)(37-74)(38-51)(38-75)(39-62)(39-71)(40-44)(40-65)(41-44)(41-59)(42-60)(42-78)(43-64)(43-78)(45-63)(45-70)(46-47)(47-68)(48-51)(48-69)(49-55)(49-72)(50-56)(50-73)(52-65)(52-66)(53-64)(53-67)(54-63)(54-79)(55-57)(56-58)(57-76)(58-77)(59-67)(60-66)(61-62)(61-80)(63-81)(64-66)(65-67)(68-83)(69-84)(70-88)(71-87)(72-85)(73-86)(74-75)(74-83)(75-84)(76-77)(76-85)(77-86)(78-82)(79-80)(79-88)(80-87)(81-82)(81-89)(83-90)(84-90)(85-90)(86-90)(87-90)(88-90)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 3.7 | 0.013 | 10.1021/acs.inorgchem.4c02235 | 2024 |
| MDA-MB-231 | 4.5 | 0.043 | 10.1021/acs.inorgchem.4c02235 | 2024 |
| A549 | 17 | 0.18 | 10.1021/acs.inorgchem.4c02235 | 2024 |
| MRC-5 | — | 0.09 | 10.1021/acs.inorgchem.4c02235 | 2024 |
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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