Info
| ID | 3225 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 2 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru-Poma |
| SMILES | O=C1CCC(N2C(=O)c3cccc(NCCCOc4ccc(-c5nc6c7cccnc7c7ncccc7c6n5-c5ccccc5)cc4)c3C2=O)C(=O)N1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1 |
TUCAN
C89H63N11O5Ru/(1-66)(2-128)(3-129)(4-64)(5-89)(6-65)(7-68)(8-69)(9-75)(10-132)(11-67)(12-73)(13-70)(14-78)(15-85)(16-147)(17-83)(18-72)(19-93)(20-74)(21-102)(22-145)(23-109)(24-104)(25-101)(26-134)(27-147)(28-107)(29-96)(30-79)(31-80)(32-90)(33-81)(34-71)(35-97)(36-130)(37-108)(38-131)(39-92)(40-86)(41-109)(42-110)(43-108)(44-100)(45-84)(46-95)(47-76)(48-105)(49-91)(50-98)(51-133)(52-94)(53-88)(54-82)(55-134)(56-106)(57-87)(58-77)(59-103)(60-99)(61-110)(62-154)(63-155)(64-66)(64-73)(65-69)(65-73)(66-119)(67-71)(67-111)(68-72)(68-80)(69-119)(70-112)(70-128)(71-113)(72-121)(74-75)(74-121)(75-80)(76-77)(76-114)(77-115)(78-118)(78-129)(79-81)(79-122)(81-91)(82-84)(82-117)(83-85)(83-139)(84-148)(85-89)(86-107)(86-130)(87-88)(87-89)(88-139)(90-92)(90-122)(91-92)(93-120)(93-132)(94-95)(94-98)(95-97)(96-124)(96-133)(97-123)(98-105)(99-100)(99-127)(100-131)(101-102)(101-104)(102-125)(103-106)(103-117)(104-142)(105-123)(106-148)(107-126)(108-134)(108-147)(109-110)(109-145)(110-151)(111-112)(111-135)(112-119)(113-118)(113-136)(114-120)(114-137)(115-124)(115-138)(116-125)(116-142)(116-149)(117-146)(118-121)(120-122)(123-124)(125-152)(126-140)(126-143)(127-141)(127-144)(128-158)(129-159)(130-153)(131-162)(132-160)(133-161)(134-154)(135-136)(135-158)(136-159)(137-138)(137-160)(138-161)(139-156)(140-141)(140-153)(141-162)(142-154)(143-144)(143-156)(144-163)(145-150)(145-157)(146-156)(146-163)(147-168)(148-168)(149-157)(149-164)(150-155)(150-165)(151-155)(151-166)(152-157)(152-167)(158-169)(159-169)(160-169)(161-169)(162-169)(163-169)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 8.9 | 0.2 | 10.1021/acs.jmedchem.4c00545 | 2024 |
| SW620 | 14 | 0.29 | 10.1021/acs.jmedchem.4c00545 | 2024 |
| SW620/AD300 | 15 | 0.7 | 10.1021/acs.jmedchem.4c00545 | 2024 |
| A549cisR | 18 | 0.37 | 10.1021/acs.jmedchem.4c00545 | 2024 |
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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