Info
| ID | 4265 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ru |
| SMILES | Cc1ccnc(-c2cc(C(=O)NCCCCCCN)ccn2)c1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C66H56N8ORu/(1-58)(2-59)(3-62)(4-60)(5-61)(6-71)(7-69)(8-73)(9-63)(10-108)(11-76)(12-64)(13-113)(14-90)(15-115)(16-92)(17-93)(18-93)(19-90)(20-115)(21-92)(22-91)(23-77)(24-91)(25-67)(26-74)(27-65)(28-79)(29-68)(30-82)(31-81)(32-78)(33-70)(34-109)(35-111)(36-72)(37-114)(38-57)(39-66)(40-114)(41-88)(42-83)(43-86)(44-85)(45-112)(46-80)(47-84)(48-87)(49-75)(50-57)(51-57)(52-89)(53-110)(54-123)(55-123)(56-124)(57-97)(58-59)(58-63)(59-60)(60-64)(61-62)(61-65)(62-69)(63-96)(64-96)(65-99)(66-97)(66-113)(67-95)(67-108)(68-69)(68-99)(70-73)(70-103)(71-79)(71-94)(72-76)(72-103)(73-78)(74-98)(74-109)(75-97)(75-120)(76-78)(77-107)(77-110)(79-101)(80-81)(80-88)(81-84)(82-85)(82-102)(83-100)(83-111)(84-106)(85-105)(86-104)(86-112)(87-88)(87-106)(89-107)(89-119)(90-91)(90-93)(91-114)(92-93)(92-115)(94-95)(94-116)(95-96)(98-99)(98-101)(100-102)(100-103)(101-117)(102-118)(104-105)(104-106)(105-121)(107-122)(108-125)(109-126)(110-128)(111-127)(112-129)(113-130)(114-124)(115-123)(116-117)(116-125)(117-126)(118-121)(118-127)(119-120)(119-128)(120-130)(121-129)(122-124)(122-131)(125-132)(126-132)(127-132)(128-132)(129-132)(130-132)
Measurements (12)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| RPE-1 | 4.2 | 0.82 | 10.1002/anie.201916400 | 2020 |
| RPE-1 | 4.2 | 0.65 | 10.1002/anie.201916400 | 2020 |
| RPE-1 | 4.2 | 0.77 | 10.1002/anie.201916400 | 2020 |
| HeLa | 14 | 1.6 | 10.1002/anie.201916400 | 2020 |
| HeLa | 14 | 1.2 | 10.1002/anie.201916400 | 2020 |
| HeLa | 14 | 1.3 | 10.1002/anie.201916400 | 2020 |
| A2780 | 15 | 2.9 | 10.1002/anie.201916400 | 2020 |
| A2780 | 15 | 4.3 | 10.1002/anie.201916400 | 2020 |
| A2780cisR | 17 | 4.7 | 10.1002/anie.201916400 | 2020 |
| A2780cisR | 17 | 7.1 | 10.1002/anie.201916400 | 2020 |
| A2780/ADR | 19 | 3.4 | 10.1002/anie.201916400 | 2020 |
| A2780/ADR | 19 | 4.5 | 10.1002/anie.201916400 | 2020 |
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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