Info
| ID | 4632 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru-ART-2 |
| SMILES | Cc1ccnc(-c2cc(COC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)ccn2)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C55H54N6O8Ru/(1-108)(2-77)(3-91)(4-59)(5-61)(6-56)(7-60)(8-63)(9-93)(10-70)(11-92)(12-62)(13-64)(14-65)(15-58)(16-69)(17-58)(18-56)(19-56)(20-58)(21-66)(22-95)(23-89)(24-67)(25-88)(26-103)(27-79)(28-80)(29-79)(30-107)(31-55)(32-55)(33-55)(34-80)(35-77)(36-72)(37-57)(38-78)(39-78)(40-57)(41-76)(42-96)(43-103)(44-71)(45-76)(46-74)(47-87)(48-75)(49-75)(50-90)(51-57)(52-73)(53-94)(54-68)(55-84)(56-88)(57-87)(58-109)(59-61)(59-81)(60-63)(60-81)(61-82)(62-64)(62-83)(63-91)(64-86)(65-66)(65-82)(66-92)(67-72)(67-83)(68-84)(68-94)(69-85)(69-93)(70-84)(70-98)(71-85)(71-99)(72-95)(73-74)(73-86)(74-96)(75-78)(75-109)(76-77)(76-87)(77-89)(78-90)(79-80)(79-106)(80-105)(81-97)(82-100)(83-101)(85-103)(86-102)(87-90)(88-89)(88-107)(89-104)(90-104)(91-110)(92-113)(93-111)(94-112)(95-114)(96-115)(97-100)(97-110)(98-99)(98-112)(99-111)(100-113)(101-102)(101-114)(102-115)(103-118)(104-108)(104-122)(105-116)(105-118)(106-117)(106-121)(107-119)(107-121)(108-119)(108-120)(109-120)(109-123)(110-124)(111-124)(112-124)(113-124)(114-124)(115-124)(122-123)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HepG2 | 62 | — | 10.1007/s00775-021-01901-8 | 2021 |
| A549cisR | 77 | — | 10.1007/s00775-021-01901-8 | 2021 |
| LO2 | 81 | — | 10.1007/s00775-021-01901-8 | 2021 |
| HeLa | 88 | — | 10.1007/s00775-021-01901-8 | 2021 |
| A549 | — | — | 10.1007/s00775-021-01901-8 | 2021 |
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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