Info
| ID | 313 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3 |
| SMILES | c1ccc(N(c2ccccc2)c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C55H37N9Ru/(1-47)(2-44)(3-75)(4-52)(5-54)(6-57)(7-53)(8-39)(9-76)(10-78)(11-38)(12-40)(13-42)(14-64)(15-48)(16-49)(17-50)(18-56)(19-46)(20-55)(21-58)(22-45)(23-66)(24-67)(25-77)(26-80)(27-41)(28-59)(29-43)(30-79)(31-62)(32-65)(33-61)(34-63)(35-51)(36-60)(37-94)(38-42)(38-68)(39-49)(39-68)(40-50)(40-69)(41-58)(41-70)(42-69)(43-60)(43-70)(44-46)(44-47)(45-48)(45-77)(46-52)(47-84)(48-71)(49-75)(50-76)(51-59)(51-74)(52-57)(53-56)(53-91)(54-55)(54-64)(55-63)(56-73)(57-84)(58-78)(59-80)(60-74)(61-66)(61-79)(62-67)(62-91)(63-65)(64-85)(65-85)(66-72)(67-73)(68-81)(69-82)(70-83)(71-86)(71-89)(72-87)(72-88)(73-92)(74-90)(75-96)(76-97)(77-93)(78-99)(79-101)(80-100)(81-82)(81-96)(82-97)(83-90)(83-99)(84-95)(85-95)(86-88)(86-93)(87-89)(87-98)(88-101)(89-94)(90-100)(91-95)(92-94)(92-98)(96-102)(97-102)(98-102)(99-102)(100-102)(101-102)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| B16 | 26 | — | 10.1016/j.jinorgbio.2022.11196... | 2022 |
| A549 | 32 | — | 10.1016/j.jinorgbio.2022.11196... | 2022 |
| HepG2 | 37 | — | 10.1016/j.jinorgbio.2022.11196... | 2022 |
| LO2 | 65 | — | 10.1016/j.jinorgbio.2022.11196... | 2022 |
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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