Info
| ID | 857 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"P": 1, "N": 1} |
| Abbreviation | 1 |
| SMILES | CC(C)(C)c1cc(P(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.Cc1ccc(C(C)C)cc1.Cc1cccnc1.[Cl-] |
TUCAN
C58H84NPRu/(1-110)(2-87)(3-87)(4-117)(5-120)(6-107)(7-138)(8-108)(9-103)(10-85)(11-87)(12-88)(13-88)(14-85)(15-88)(16-111)(17-112)(18-103)(19-102)(20-103)(21-85)(22-89)(23-89)(24-89)(25-86)(26-90)(27-90)(28-90)(29-109)(30-86)(31-91)(32-91)(33-91)(34-92)(35-92)(36-113)(37-92)(38-93)(39-93)(40-93)(41-94)(42-94)(43-94)(44-95)(45-95)(46-95)(47-96)(48-96)(49-96)(50-97)(51-97)(52-97)(53-98)(54-98)(55-98)(56-99)(57-99)(58-99)(59-114)(60-115)(61-100)(62-100)(63-100)(64-101)(65-119)(66-116)(67-131)(68-86)(69-101)(70-101)(71-104)(72-104)(73-104)(74-105)(75-105)(76-105)(77-118)(78-102)(79-139)(80-102)(81-106)(82-121)(83-106)(84-106)(85-131)(86-131)(87-132)(88-132)(89-132)(90-133)(91-133)(92-133)(93-134)(94-134)(95-134)(96-135)(97-135)(98-135)(99-136)(100-136)(101-136)(102-122)(103-127)(104-137)(105-137)(106-137)(107-108)(107-139)(108-122)(109-117)(109-127)(110-123)(110-124)(111-123)(111-140)(112-124)(112-140)(113-125)(113-126)(114-125)(114-141)(115-126)(115-141)(116-128)(116-130)(117-129)(118-120)(118-127)(119-128)(119-142)(120-129)(121-130)(121-142)(122-138)(123-132)(124-133)(125-134)(126-135)(128-136)(129-131)(130-137)(138-143)(139-143)(140-144)(141-144)(142-144)(143-145)(144-145)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HT-29 | 2.8 | — | 10.1016/j.poly.2022.115980 | 2022 |
| U2OS | 4.7 | — | 10.1016/j.poly.2022.115980 | 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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