Info
| ID | 4630 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | OA-Ru |
| SMILES | Cc1ccc(C(C)C)cc1.Cc1ccnc(-c2cc(Cn3cc(CNC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)nn3)ccn2)c1.[Cl-] |
TUCAN
C55H76N6O2Ru/(1-81)(2-103)(3-81)(4-106)(5-86)(6-86)(7-103)(8-126)(9-77)(10-77)(11-86)(12-81)(13-82)(14-101)(15-97)(16-87)(17-87)(18-82)(19-99)(20-104)(21-98)(22-101)(23-87)(24-104)(25-98)(26-80)(27-123)(28-83)(29-96)(30-82)(31-83)(32-124)(33-95)(34-105)(35-106)(36-99)(37-102)(38-85)(39-130)(40-83)(41-94)(42-100)(43-115)(44-80)(45-88)(46-84)(47-126)(48-122)(49-85)(50-114)(51-84)(52-125)(53-84)(54-125)(55-100)(56-105)(57-93)(58-97)(59-102)(60-112)(61-80)(62-85)(63-78)(64-78)(65-113)(66-91)(67-89)(68-77)(69-78)(70-79)(71-79)(72-90)(73-92)(74-79)(75-133)(76-139)(77-107)(78-113)(79-113)(80-116)(81-120)(82-119)(83-117)(84-117)(85-119)(86-111)(87-118)(88-111)(88-129)(89-91)(89-107)(90-92)(90-107)(91-108)(92-108)(93-110)(93-123)(94-110)(94-128)(95-111)(95-124)(96-105)(96-109)(97-98)(97-121)(98-116)(99-106)(99-120)(100-114)(100-119)(101-104)(101-112)(102-103)(102-119)(103-121)(104-118)(105-115)(106-130)(108-113)(109-114)(109-116)(110-125)(112-117)(112-120)(114-121)(115-118)(115-120)(116-118)(117-130)(121-131)(122-127)(122-134)(123-132)(124-136)(125-134)(126-127)(126-133)(127-137)(128-129)(128-132)(129-136)(130-139)(131-133)(131-138)(134-135)(135-137)(136-140)(137-140)(139-140)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 9.4 | — | 10.1016/j.jinorgbio.2022.11205... | 2022 |
| HLF | 17 | — | 10.1016/j.jinorgbio.2022.11205... | 2022 |
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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