Info
| ID | 2925 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 3 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru1 |
| SMILES | NC(=[NH2+])Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C68H48N11Ru/(1-51)(2-100)(3-61)(4-54)(5-49)(6-72)(7-50)(8-53)(9-52)(10-101)(11-57)(12-63)(13-58)(14-59)(15-62)(16-64)(17-78)(18-102)(19-56)(20-81)(21-103)(22-105)(23-83)(24-66)(25-60)(26-69)(27-65)(28-70)(29-76)(30-104)(31-67)(32-82)(33-55)(34-84)(35-71)(36-73)(37-68)(38-75)(39-74)(40-77)(41-79)(42-80)(43-117)(44-117)(45-118)(46-120)(47-121)(48-118)(49-53)(49-87)(50-85)(50-100)(51-61)(51-86)(52-57)(52-87)(53-54)(54-57)(55-56)(55-99)(56-114)(58-63)(58-89)(59-64)(59-89)(60-69)(60-91)(61-90)(62-88)(62-101)(63-67)(64-67)(65-70)(65-91)(66-92)(66-102)(68-69)(68-70)(71-74)(71-76)(72-78)(72-95)(73-96)(73-104)(74-75)(75-77)(76-97)(77-97)(78-98)(79-80)(79-94)(80-103)(81-83)(81-105)(82-84)(82-114)(83-93)(84-99)(85-86)(85-87)(86-106)(88-89)(88-90)(90-107)(91-92)(92-95)(93-111)(93-112)(94-109)(94-110)(95-108)(96-97)(96-98)(98-113)(99-115)(100-122)(101-123)(102-124)(103-119)(104-126)(105-127)(106-107)(106-122)(107-123)(108-113)(108-124)(109-112)(109-120)(110-111)(110-119)(111-127)(112-125)(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 |
| MCF-7 | 3.5 | — | 10.2174/1871520617666170419122... | 2018 |
| HeLa | 4.2 | — | 10.2174/1871520617666170419122... | 2018 |
| A549 | 5.5 | — | 10.2174/1871520617666170419122... | 2018 |
| CNE-2 | 9.1 | — | 10.2174/1871520617666170419122... | 2018 |
| HepG2 | — | — | 10.2174/1871520617666170419122... | 2018 |
| LO2 | — | — | 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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