Info
| ID | 1308 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | 3Ph(2+) |
| SMILES | c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)c1nc3cc4nc5c6cccnc6c6ncccc6c5nc4cc3nc1c1cccnc12 |
TUCAN
C78H46N12Ru/(1-101)(2-78)(3-66)(4-55)(5-53)(6-49)(7-80)(8-57)(9-67)(10-47)(11-81)(12-64)(13-48)(14-52)(15-51)(16-76)(17-50)(18-58)(19-103)(20-105)(21-68)(22-108)(23-59)(24-54)(25-63)(26-62)(27-60)(28-56)(29-79)(30-61)(31-104)(32-102)(33-69)(34-82)(35-70)(36-71)(37-73)(38-65)(39-74)(40-106)(41-75)(42-72)(43-83)(44-77)(45-107)(46-84)(47-55)(47-87)(48-50)(48-99)(49-85)(49-101)(50-104)(51-58)(51-86)(52-57)(52-87)(53-55)(53-57)(54-64)(54-88)(56-68)(56-88)(58-90)(59-93)(59-102)(60-70)(60-92)(61-69)(61-89)(62-66)(62-91)(63-111)(63-116)(64-67)(65-71)(65-89)(66-103)(67-68)(69-76)(70-96)(71-76)(72-73)(72-97)(73-77)(74-94)(74-106)(75-95)(75-107)(77-83)(78-80)(78-105)(79-82)(79-108)(80-100)(81-121)(81-124)(82-98)(83-84)(84-97)(85-86)(85-87)(86-109)(88-93)(89-94)(90-93)(90-114)(91-110)(91-112)(92-94)(92-115)(95-96)(95-97)(96-117)(98-122)(98-123)(99-118)(99-119)(100-113)(100-120)(101-131)(102-134)(103-133)(104-127)(105-126)(106-135)(107-136)(108-128)(109-114)(109-131)(110-113)(110-133)(111-121)(111-125)(112-120)(112-132)(113-126)(114-134)(115-117)(115-135)(116-124)(116-132)(117-136)(118-123)(118-127)(119-122)(119-130)(120-129)(121-130)(122-125)(123-128)(124-129)(131-137)(132-137)(133-137)(134-137)(135-137)(136-137)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 1.4 | — | 10.1002/cmdc.201700240 | 2017 |
| CCL228 | 50 | — | 10.1002/cmdc.201700240 | 2017 |
| H358 | 50 | — | 10.1002/cmdc.201700240 | 2017 |
| MCF-10A | 1e+02 | — | 10.1002/cmdc.201700240 | 2017 |
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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