Info
| ID | 2968 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 4, "P": 1, "O": 1} |
| Abbreviation | 1 |
| SMILES | C1N2C[NH+]3CN1CP(C2)C3.C1N2C[NH+]3CN1CP(C2)C3.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1.O=C([O-])c1ccnc(-c2cc(C(=O)O)ccn2)c1 |
TUCAN
C36H40N10O8P2Ru/(1-54)(2-41)(3-43)(4-62)(5-73)(6-73)(7-71)(8-62)(9-61)(10-45)(11-53)(12-63)(13-63)(14-71)(15-72)(16-65)(17-72)(18-65)(19-61)(20-48)(21-75)(22-56)(23-44)(24-42)(25-75)(26-74)(27-66)(28-64)(29-46)(30-76)(31-47)(32-55)(33-76)(34-74)(35-66)(36-64)(37-81)(38-82)(39-93)(40-94)(41-51)(41-54)(42-49)(42-53)(43-50)(43-58)(44-49)(44-57)(45-51)(45-59)(46-52)(46-60)(47-52)(47-56)(48-50)(48-55)(49-68)(50-67)(51-69)(52-70)(53-84)(54-83)(55-86)(56-85)(57-58)(57-84)(58-86)(59-60)(59-83)(60-85)(61-77)(61-78)(62-77)(62-81)(63-78)(63-81)(64-79)(64-80)(65-79)(65-82)(66-80)(66-82)(67-87)(67-88)(68-89)(68-93)(69-90)(69-92)(70-91)(70-94)(71-77)(71-95)(72-78)(72-95)(73-81)(73-95)(74-82)(74-96)(75-79)(75-96)(76-80)(76-96)(83-97)(84-97)(85-97)(86-97)(95-97)(96-97)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 25 | 10.1016/j.jinorgbio.2023.11229... | 2023 |
| HeLa | — | 24 | 10.1016/j.jinorgbio.2023.11229... | 2023 |
| PC-3 | — | 24 | 10.1016/j.jinorgbio.2023.11229... | 2023 |
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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