Info
| ID | 3727 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | 2 |
| SMILES | Clc1ccc(C(Cn2ccnc2)OCc2ccccc2Cl)c(Cl)c1.Clc1ccc(C(Cn2ccnc2)OCc2ccccc2Cl)c(Cl)c1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C60H46Cl6N8O2Ru/(1-47)(2-89)(3-81)(4-57)(5-82)(6-48)(7-53)(8-85)(9-49)(10-83)(11-97)(12-61)(13-62)(14-89)(15-97)(16-51)(17-66)(18-90)(19-54)(20-67)(21-55)(22-60)(23-65)(24-84)(25-63)(26-56)(27-95)(28-68)(29-50)(30-99)(31-98)(32-70)(33-58)(34-100)(35-86)(36-71)(37-72)(38-52)(39-64)(40-96)(41-87)(42-59)(43-69)(44-98)(45-88)(46-90)(47-57)(47-74)(48-54)(48-74)(49-55)(49-75)(50-68)(50-76)(51-58)(51-73)(52-59)(52-80)(53-101)(53-102)(54-81)(55-82)(56-66)(56-83)(57-75)(58-102)(59-105)(60-63)(60-78)(61-62)(61-104)(62-68)(63-79)(64-67)(64-86)(65-71)(65-106)(66-78)(67-79)(69-72)(69-77)(70-103)(70-105)(71-72)(73-99)(73-101)(74-91)(75-92)(76-97)(76-104)(77-98)(77-106)(78-93)(79-94)(80-100)(80-103)(81-110)(82-111)(83-112)(84-85)(84-107)(85-109)(86-114)(87-88)(87-113)(88-108)(89-99)(89-108)(90-100)(90-107)(91-92)(91-110)(92-111)(93-94)(93-112)(94-114)(95-107)(95-109)(96-108)(96-113)(97-115)(98-116)(99-115)(100-116)(101-117)(102-119)(103-122)(104-118)(105-121)(106-120)(109-123)(110-123)(111-123)(112-123)(113-123)(114-123)(115-123)(116-123)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LNCaP | 9.2 | 0.3 | 10.1039/c5cc05172j | 2015 |
| MCF-7 | 10 | 0.9 | 10.1039/c5cc05172j | 2015 |
| DLD-1 | 29 | 2.9 | 10.1039/c5cc05172j | 2015 |
| PC-3 | 49 | 2.6 | 10.1039/c5cc05172j | 2015 |
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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