Info
| ID | 2622 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 3, "S": 1, "P": 4} |
| Abbreviation | 6 |
| SMILES | Nc1ccc2[nH]c([S-])nc2c1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc(P(CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
TUCAN
C57H50N3P4RuS/(1-51)(2-53)(3-52)(4-54)(5-55)(6-56)(7-59)(8-58)(9-105)(10-105)(11-60)(12-61)(13-63)(14-65)(15-57)(16-66)(17-64)(18-67)(19-62)(20-68)(21-70)(22-71)(23-72)(24-69)(25-86)(26-75)(27-73)(28-79)(29-81)(30-82)(31-74)(32-106)(33-80)(34-89)(35-84)(36-106)(37-76)(38-85)(39-77)(40-78)(41-87)(42-88)(43-90)(44-92)(45-93)(46-91)(47-83)(48-109)(49-108)(50-108)(51-52)(51-97)(52-53)(53-55)(54-55)(54-97)(56-57)(56-58)(57-59)(58-98)(59-60)(60-98)(61-62)(61-63)(62-64)(63-99)(64-65)(65-99)(66-67)(66-100)(67-71)(68-69)(68-100)(69-71)(70-73)(70-101)(72-79)(72-101)(73-74)(74-79)(75-81)(75-102)(76-82)(76-102)(77-84)(77-103)(78-85)(78-103)(80-81)(80-82)(83-91)(83-94)(84-89)(85-89)(86-95)(86-96)(87-88)(87-104)(88-93)(90-92)(90-93)(91-95)(92-104)(94-96)(94-109)(95-108)(96-110)(97-111)(98-111)(99-112)(100-112)(101-113)(102-113)(103-114)(104-114)(105-111)(105-112)(106-113)(106-114)(107-109)(107-110)(107-115)(110-116)(111-116)(112-116)(113-116)(114-116)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 2.4 | — | 10.1002/cbic.202400734 | 2025 |
| HT-29 | 3.1 | — | 10.1002/cbic.202400734 | 2025 |
| CT-26 | 4.2 | — | 10.1002/cbic.202400734 | 2025 |
| RPE-1 | 4.7 | — | 10.1002/cbic.202400734 | 2025 |
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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