Info
| ID | 4396 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 5a |
| SMILES | CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)c1ccc(-c2[c-]cccc2)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C61H72N9O7Ru/(1-92)(2-116)(3-111)(4-84)(5-73)(6-112)(7-73)(8-73)(9-86)(10-74)(11-114)(12-76)(13-74)(14-83)(15-74)(16-91)(17-93)(18-94)(19-100)(20-99)(21-85)(22-89)(23-115)(24-118)(25-118)(26-119)(27-87)(28-88)(29-116)(30-101)(31-101)(32-119)(33-104)(34-117)(35-77)(36-77)(37-102)(38-103)(39-120)(40-121)(41-121)(42-104)(43-103)(44-120)(45-77)(46-78)(47-117)(48-102)(49-78)(50-75)(51-90)(52-97)(53-76)(54-76)(55-80)(56-80)(57-75)(58-98)(59-78)(60-79)(61-75)(62-95)(63-80)(64-81)(65-113)(66-81)(67-81)(68-96)(69-79)(70-79)(71-134)(72-135)(73-127)(74-127)(75-127)(76-129)(77-128)(78-128)(79-128)(80-129)(81-129)(82-93)(82-109)(83-86)(83-105)(84-95)(84-105)(85-88)(85-106)(86-111)(87-96)(87-106)(88-112)(89-90)(89-107)(90-114)(91-92)(91-124)(92-108)(93-94)(94-100)(95-107)(96-110)(97-98)(97-115)(98-110)(99-100)(99-109)(101-116)(101-118)(102-103)(102-119)(103-120)(104-117)(104-121)(105-122)(106-123)(107-125)(108-113)(108-130)(109-124)(110-126)(111-138)(112-139)(113-141)(114-140)(115-142)(116-134)(117-135)(118-136)(119-136)(120-137)(121-137)(122-125)(122-138)(123-126)(123-139)(124-141)(125-140)(126-142)(127-147)(128-149)(129-148)(130-134)(130-143)(131-135)(131-144)(131-149)(132-137)(132-145)(132-147)(133-136)(133-146)(133-148)(138-150)(139-150)(140-150)(141-150)(142-150)(149-150)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HCT-116 | 1 | — | 10.1039/c1dt10322a | 2011 |
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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