Info
| ID | 639 |
| Metal | Ru |
| Oxidation state | 2 |
| Charge | 4 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ru1 |
| SMILES | O=C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1cc2cccnc2c2ncccc12.O=C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1cc2cccnc2c2ncccc12.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1 |
TUCAN
C88H77N9O2P2Ru/(1-82)(2-81)(3-79)(4-84)(5-78)(6-140)(7-158)(8-158)(9-126)(10-126)(11-127)(12-127)(13-121)(14-106)(15-83)(16-88)(17-144)(18-87)(19-90)(20-92)(21-91)(22-86)(23-159)(24-89)(25-94)(26-100)(27-101)(28-111)(29-85)(30-130)(31-131)(32-131)(33-128)(34-128)(35-129)(36-96)(37-99)(38-93)(39-97)(40-113)(41-105)(42-80)(43-132)(44-132)(45-129)(46-133)(47-114)(48-107)(49-109)(50-98)(51-108)(52-119)(53-112)(54-103)(55-159)(56-130)(57-125)(58-115)(59-104)(60-110)(61-141)(62-142)(63-133)(64-116)(65-95)(66-102)(67-145)(68-118)(69-143)(70-117)(71-120)(72-123)(73-124)(74-122)(75-166)(76-167)(77-168)(78-79)(78-84)(79-81)(80-82)(80-135)(81-160)(82-99)(83-84)(83-160)(85-106)(85-141)(86-90)(86-161)(87-96)(87-142)(88-138)(88-153)(89-92)(89-161)(90-91)(91-92)(93-94)(93-162)(94-100)(95-139)(95-151)(96-138)(97-101)(97-162)(98-134)(98-144)(99-102)(100-101)(102-149)(103-105)(103-163)(104-107)(104-163)(105-113)(106-136)(107-113)(108-124)(108-139)(109-120)(109-146)(110-112)(110-164)(111-114)(111-137)(112-119)(114-143)(115-116)(115-119)(116-164)(117-118)(117-165)(118-125)(120-121)(121-140)(122-123)(122-125)(123-165)(124-145)(126-127)(126-158)(127-128)(128-129)(129-156)(130-131)(130-159)(131-132)(132-133)(133-157)(134-135)(134-148)(135-149)(136-147)(136-151)(137-153)(137-155)(138-152)(139-154)(140-173)(141-171)(142-170)(143-172)(144-169)(145-174)(146-150)(146-173)(147-154)(147-171)(148-150)(148-166)(149-166)(150-169)(151-167)(152-155)(152-170)(153-168)(154-174)(155-172)(156-167)(156-175)(157-168)(157-176)(158-177)(159-178)(160-177)(161-177)(162-177)(163-178)(164-178)(165-178)(169-179)(170-179)(171-179)(172-179)(173-179)(174-179)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 4T1 | 37 | 2.7 | 10.1016/j.ejmech.2024.116638 | 2024 |
| MDA-MB-231 | — | 0.5 | 10.1016/j.ejmech.2024.116638 | 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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