Info
| ID | 4331 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 6a |
| SMILES | Cc1ccnc(-c2cc(CN3CCC(C)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(C)CC3)ccn2)c1.Cc1ccnc(-c2cc(CN3CCC(C)CC3)ccn2)c1 |
TUCAN
C54H69N9Ru/(1-112)(2-100)(3-109)(4-88)(5-71)(6-105)(7-112)(8-88)(9-103)(10-109)(11-81)(12-71)(13-78)(14-110)(15-110)(16-82)(17-70)(18-79)(19-111)(20-111)(21-89)(22-70)(23-76)(24-77)(25-89)(26-113)(27-113)(28-101)(29-80)(30-115)(31-71)(32-70)(33-114)(34-74)(35-72)(36-106)(37-90)(38-115)(39-74)(40-74)(41-90)(42-72)(43-83)(44-72)(45-73)(46-75)(47-104)(48-107)(49-91)(50-91)(51-114)(52-92)(53-116)(54-87)(55-73)(56-75)(57-117)(58-86)(59-73)(60-84)(61-92)(62-117)(63-102)(64-93)(65-108)(66-93)(67-116)(68-75)(69-85)(70-95)(71-100)(72-101)(73-102)(74-97)(75-98)(76-94)(76-118)(77-96)(77-119)(78-95)(78-121)(79-94)(79-105)(80-96)(80-106)(81-95)(81-103)(82-97)(82-104)(83-97)(83-122)(84-99)(84-108)(85-98)(85-107)(86-98)(86-123)(87-99)(87-120)(88-100)(88-109)(89-100)(89-110)(90-101)(90-111)(91-101)(91-113)(92-102)(92-114)(93-102)(93-116)(94-112)(96-115)(99-117)(103-127)(104-129)(105-128)(106-130)(107-132)(108-131)(109-124)(110-124)(111-125)(112-124)(113-125)(114-126)(115-125)(116-126)(117-126)(118-121)(118-128)(119-122)(119-130)(120-123)(120-131)(121-127)(122-129)(123-132)(127-133)(128-133)(129-133)(130-133)(131-133)(132-133)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 4T1 | 85 | 11 | 10.1016/j.ejmech.2024.116909 | 2024 |
| HT-29 | — | 8 | 10.1016/j.ejmech.2024.116909 | 2024 |
| A549 | — | 9.4 | 10.1016/j.ejmech.2024.116909 | 2024 |
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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