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Complex #1169 — Ru(2) [Ru-Biotin]

2D Structure

Structure
⬇ MOL V3000

Info

ID1169
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
AbbreviationRu-Biotin
SMILESCC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(C(C)(C)C)cc2)cc1.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1cc2cccnc2c2ncccc12

TUCAN

C88H87N13O2RuS/(1-88)(2-91)(3-130)(4-116)(5-91)(6-111)(7-169)(8-129)(9-107)(10-91)(11-105)(12-101)(13-92)(14-104)(15-109)(16-92)(17-92)(18-100)(19-128)(20-88)(21-118)(22-93)(23-88)(24-93)(25-93)(26-89)(27-113)(28-89)(29-108)(30-132)(31-149)(32-97)(33-110)(34-175)(35-106)(36-97)(37-89)(38-119)(39-90)(40-112)(41-97)(42-151)(43-127)(44-90)(45-125)(46-121)(47-90)(48-98)(49-98)(50-94)(51-150)(52-98)(53-153)(54-132)(55-94)(56-94)(57-95)(58-95)(59-129)(60-114)(61-131)(62-174)(63-131)(64-102)(65-168)(66-130)(67-174)(68-95)(69-117)(70-99)(71-154)(72-115)(73-103)(74-152)(75-99)(76-124)(77-126)(78-122)(79-120)(80-96)(81-99)(82-96)(83-96)(84-123)(85-178)(86-180)(87-179)(88-145)(89-145)(90-145)(91-146)(92-146)(93-146)(94-147)(95-147)(96-147)(97-148)(98-148)(99-148)(100-111)(100-133)(101-109)(101-134)(102-114)(102-153)(103-116)(103-143)(104-118)(104-134)(105-108)(105-136)(106-107)(106-150)(107-135)(108-138)(109-161)(110-113)(110-137)(111-151)(112-117)(112-136)(113-152)(114-142)(115-143)(115-157)(116-149)(117-138)(118-161)(119-125)(119-164)(120-121)(120-140)(121-139)(122-123)(122-139)(123-140)(124-126)(124-164)(125-141)(126-141)(127-128)(127-154)(128-144)(129-131)(129-175)(130-132)(130-172)(131-132)(133-155)(133-158)(134-145)(135-159)(135-160)(136-146)(137-162)(137-167)(138-170)(139-148)(140-171)(141-147)(142-157)(142-163)(143-156)(144-165)(144-166)(149-185)(150-183)(151-176)(152-177)(153-186)(154-187)(155-160)(155-181)(156-163)(156-185)(157-180)(158-159)(158-176)(159-183)(160-184)(161-181)(162-165)(162-182)(163-186)(164-182)(165-188)(166-167)(166-187)(167-177)(168-169)(168-174)(168-178)(169-175)(169-179)(170-181)(170-184)(171-182)(171-188)(172-180)(172-190)(173-178)(173-179)(173-189)(174-191)(175-191)(183-192)(184-192)(185-192)(186-192)(187-192)(188-192)

Measurements (8)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR733.3 10.1039/c9cc05826e 2019
A549cisR732.6 10.1039/c9cc05826e 2019
A549803.9 10.1039/c9cc05826e 2019
A549802.2 10.1039/c9cc05826e 2019
HeLa873.8 10.1039/c9cc05826e 2019
HeLa872.4 10.1039/c9cc05826e 2019
HLF-a—36 10.1039/c9cc05826e 2019
HLF-a—32 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.

experimental validation surface
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