Info
| ID | 4597 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3, "P": 2} |
| Abbreviation | Complex 1 |
| SMILES | CC(=NNC(N)=O)c1cc2ccccc2oc1=O.[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1 |
TUCAN
C48H41N3O3P2Ru/(1-45)(2-43)(3-44)(4-47)(5-46)(6-48)(7-49)(8-50)(9-60)(10-52)(11-62)(12-53)(13-51)(14-54)(15-55)(16-63)(17-58)(18-68)(19-65)(20-66)(21-56)(22-57)(23-42)(24-42)(25-42)(26-59)(27-61)(28-64)(29-70)(30-73)(31-67)(32-69)(33-71)(34-72)(35-77)(36-74)(37-75)(38-76)(39-90)(40-90)(41-91)(42-80)(43-45)(43-84)(44-46)(44-84)(45-47)(46-47)(48-49)(48-52)(49-50)(50-85)(51-52)(51-85)(53-76)(53-78)(54-56)(54-60)(55-57)(55-60)(56-86)(57-86)(58-59)(58-63)(59-87)(61-65)(61-87)(62-78)(62-79)(63-65)(64-66)(64-88)(66-68)(67-68)(67-70)(69-71)(69-73)(70-88)(71-89)(72-77)(72-89)(73-77)(74-75)(74-81)(75-76)(78-81)(79-80)(79-83)(80-92)(81-95)(82-90)(82-91)(82-93)(83-94)(83-95)(84-96)(85-96)(86-96)(87-97)(88-97)(89-97)(91-92)(92-98)(95-98)(96-98)(97-98)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 46 | — | 10.1016/j.jinorgbio.2024.11258... | 2024 |
| MDA-MB-231 | 67 | — | 10.1016/j.jinorgbio.2024.11258... | 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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