Info
| ID | 2926 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 3 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru2 |
| SMILES | NC(=[NH2+])Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C68H48N11Ru/(1-52)(2-100)(3-61)(4-49)(5-101)(6-71)(7-51)(8-54)(9-50)(10-77)(11-57)(12-58)(13-53)(14-59)(15-103)(16-63)(17-60)(18-56)(19-78)(20-105)(21-81)(22-83)(23-62)(24-65)(25-64)(26-72)(27-66)(28-70)(29-104)(30-55)(31-82)(32-84)(33-79)(34-69)(35-76)(36-73)(37-67)(38-74)(39-68)(40-75)(41-80)(42-102)(43-117)(44-117)(45-118)(46-120)(47-121)(48-118)(49-54)(49-57)(50-54)(50-87)(51-85)(51-100)(52-61)(52-86)(53-57)(53-87)(55-58)(55-63)(56-95)(56-114)(58-59)(59-90)(60-63)(60-90)(61-91)(62-88)(62-101)(64-65)(64-67)(65-92)(66-69)(66-92)(67-69)(68-73)(68-74)(70-73)(70-98)(71-77)(71-96)(72-93)(72-103)(74-75)(75-98)(76-97)(76-104)(77-99)(78-84)(78-95)(79-80)(79-94)(80-102)(81-83)(81-105)(82-84)(82-114)(83-89)(85-86)(85-87)(86-106)(88-90)(88-91)(89-109)(89-112)(91-107)(92-93)(93-96)(94-110)(94-111)(95-115)(96-108)(97-98)(97-99)(99-113)(100-122)(101-123)(102-119)(103-124)(104-126)(105-127)(106-107)(106-122)(107-123)(108-113)(108-124)(109-110)(109-125)(110-120)(111-112)(111-119)(112-127)(113-126)(114-121)(115-120)(115-125)(116-117)(116-118)(116-121)(122-128)(123-128)(124-128)(125-128)(126-128)(127-128)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 2.3 | — | 10.2174/1871520617666170419122... | 2018 |
| HeLa | 3.4 | — | 10.2174/1871520617666170419122... | 2018 |
| MCF-7 | 3.6 | — | 10.2174/1871520617666170419122... | 2018 |
| CNE-2 | 6.2 | — | 10.2174/1871520617666170419122... | 2018 |
| HepG2 | 12 | — | 10.2174/1871520617666170419122... | 2018 |
| LO2 | 27 | — | 10.2174/1871520617666170419122... | 2018 |
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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