Info
| ID | 1168 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru-PhenNH2 |
| SMILES | CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.Nc1cc2cccnc2c2ncccc12 |
TUCAN
C78H73N11Ru/(1-74)(2-94)(3-74)(4-98)(5-92)(6-77)(7-74)(8-101)(9-96)(10-75)(11-133)(12-77)(13-95)(14-75)(15-77)(16-78)(17-103)(18-90)(19-75)(20-99)(21-97)(22-87)(23-78)(24-76)(25-78)(26-79)(27-76)(28-93)(29-76)(30-79)(31-110)(32-112)(33-91)(34-79)(35-80)(36-86)(37-80)(38-131)(39-102)(40-83)(41-104)(42-80)(43-83)(44-83)(45-135)(46-88)(47-81)(48-107)(49-100)(50-111)(51-113)(52-81)(53-84)(54-84)(55-81)(56-134)(57-84)(58-106)(59-85)(60-89)(61-114)(62-136)(63-132)(64-109)(65-85)(66-105)(67-82)(68-85)(69-82)(70-82)(71-108)(72-152)(73-152)(74-127)(75-127)(76-127)(77-128)(78-128)(79-128)(80-129)(81-129)(82-129)(83-130)(84-130)(85-130)(86-101)(86-136)(87-97)(87-138)(88-90)(88-133)(89-104)(89-134)(90-120)(91-110)(91-138)(92-93)(92-119)(93-131)(94-95)(94-122)(95-115)(96-99)(96-122)(97-116)(98-112)(98-132)(99-115)(100-111)(100-144)(101-118)(102-118)(102-139)(103-105)(103-121)(104-123)(105-135)(106-107)(106-124)(107-125)(108-113)(108-124)(109-114)(109-144)(110-116)(111-126)(112-117)(113-125)(114-126)(115-150)(116-127)(117-137)(117-139)(118-149)(119-140)(119-141)(120-142)(120-143)(121-145)(121-146)(122-128)(123-147)(123-148)(124-151)(125-130)(126-129)(131-153)(132-161)(133-158)(134-159)(135-154)(136-162)(137-149)(137-161)(138-155)(139-152)(140-143)(140-155)(141-142)(141-153)(142-158)(143-157)(144-156)(145-147)(145-156)(146-148)(146-154)(147-160)(148-159)(149-162)(150-155)(150-157)(151-156)(151-160)(157-163)(158-163)(159-163)(160-163)(161-163)(162-163)
Measurements (8)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | — | 13 | 10.1039/c9cc05826e | 2019 |
| HLF-a | — | 14 | 10.1039/c9cc05826e | 2019 |
| HeLa | — | 10 | 10.1039/c9cc05826e | 2019 |
| A549 | — | 11 | 10.1039/c9cc05826e | 2019 |
| A549cisR | — | 12 | 10.1039/c9cc05826e | 2019 |
| HLF-a | — | 13 | 10.1039/c9cc05826e | 2019 |
| HeLa | — | 11 | 10.1039/c9cc05826e | 2019 |
| A549 | — | 11 | 10.1039/c9cc05826e | 2019 |
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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