Info
| ID | 585 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | CPI-Ru |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(Cn3cc(CNC(=O)CCCCC(CCSCc4ccccc4)SCc4ccccc4)nn3)ccn2)c1.[Cl-] |
TUCAN
C47H56N6ORuS2/(1-83)(2-81)(3-82)(4-58)(5-58)(6-57)(7-57)(8-58)(9-59)(10-81)(11-73)(12-80)(13-68)(14-102)(15-102)(16-94)(17-79)(18-101)(19-69)(20-80)(21-72)(22-101)(23-62)(24-74)(25-63)(26-95)(27-93)(28-95)(29-100)(30-83)(31-76)(32-91)(33-77)(34-79)(35-60)(36-60)(37-61)(38-75)(39-82)(40-78)(41-60)(42-67)(43-70)(44-92)(45-103)(46-100)(47-94)(48-64)(49-90)(50-57)(51-66)(52-71)(53-59)(54-65)(55-59)(56-105)(57-85)(58-90)(59-90)(60-89)(61-89)(61-98)(62-68)(62-84)(63-87)(63-91)(64-66)(64-85)(65-71)(65-85)(66-86)(67-69)(67-84)(68-70)(69-70)(71-86)(72-74)(72-88)(73-87)(73-96)(74-76)(75-77)(75-88)(76-77)(78-89)(78-92)(79-81)(79-82)(80-101)(80-103)(81-83)(82-103)(83-99)(84-100)(86-90)(87-94)(88-102)(91-104)(92-108)(93-97)(93-106)(94-106)(95-97)(95-105)(96-98)(96-104)(97-109)(98-108)(99-105)(99-110)(100-111)(101-112)(102-112)(103-111)(106-107)(107-109)(108-113)(109-113)(111-113)(112-113)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| K-562 | 8.2 | — | 10.1016/j.jinorgbio.2023.11219... | 2023 |
| NB4 | 11 | — | 10.1016/j.jinorgbio.2023.11219... | 2023 |
| MCF-7 | 39 | — | 10.1016/j.jinorgbio.2023.11219... | 2023 |
| HLF | — | — | 10.1016/j.jinorgbio.2023.11219... | 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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