Info
| ID | 646 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 1, "P": 2} |
| Abbreviation | (2) |
| SMILES | COc1ccnc(-c2cc(CO)ccn2)c1.Cc1ncc([N+](=O)[O-])n1CCO.[Cl-].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C46H49N5O5P2Ru/(1-76)(2-54)(3-90)(4-53)(5-91)(6-56)(7-75)(8-58)(9-55)(10-86)(11-86)(12-50)(13-87)(14-86)(15-76)(16-51)(17-62)(18-91)(19-59)(20-52)(21-64)(22-68)(23-60)(24-75)(25-61)(26-50)(27-50)(28-69)(29-67)(30-71)(31-90)(32-70)(33-65)(34-63)(35-66)(36-80)(37-87)(38-81)(39-57)(40-81)(41-78)(42-88)(43-72)(44-79)(45-73)(46-88)(47-74)(48-103)(49-104)(50-85)(51-53)(51-92)(52-54)(52-58)(53-55)(54-93)(55-59)(56-60)(56-93)(57-82)(57-89)(58-60)(59-68)(61-62)(61-64)(62-67)(63-65)(63-69)(64-95)(65-66)(66-71)(67-70)(68-92)(69-94)(70-95)(71-94)(72-77)(72-83)(73-79)(73-89)(74-77)(74-80)(75-76)(75-90)(76-91)(77-88)(78-84)(78-99)(79-100)(80-98)(81-87)(81-96)(82-83)(82-100)(83-98)(84-96)(84-97)(85-96)(85-99)(86-105)(87-103)(88-104)(89-105)(90-106)(91-107)(92-106)(93-107)(94-106)(95-107)(97-101)(97-102)(98-108)(99-108)(100-108)(103-108)(104-108)(105-108)(107-108)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 32 | — | 10.1016/j.jinorgbio.2022.11202... | 2022 |
| SK-MEL-147 | 33 | — | 10.1016/j.jinorgbio.2022.11202... | 2022 |
| CCD-1059Sk | 38 | — | 10.1016/j.jinorgbio.2022.11202... | 2022 |
| A549 | 49 | — | 10.1016/j.jinorgbio.2022.11202... | 2022 |
| HepG2 | 75 | — | 10.1016/j.jinorgbio.2022.11202... | 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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