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Complex #1525 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1525
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C1c2ccccc2-c2nc3cc(-c4ccc5nc6c7cccnc7c7ncccc7c6nc5c4)ccc3nc21

TUCAN

C57H40N10ORu/(1-50)(2-46)(3-41)(4-49)(5-77)(6-51)(7-41)(8-78)(9-41)(10-82)(11-57)(12-42)(13-55)(14-47)(15-52)(16-64)(17-79)(18-42)(19-62)(20-63)(21-48)(22-42)(23-54)(24-61)(25-45)(26-80)(27-53)(28-56)(29-58)(30-59)(31-43)(32-60)(33-65)(34-43)(35-43)(36-81)(37-44)(38-44)(39-66)(40-44)(41-68)(42-70)(43-75)(44-76)(45-48)(45-62)(46-49)(46-74)(47-67)(47-89)(48-54)(49-78)(50-68)(50-77)(51-68)(51-85)(52-70)(52-86)(53-56)(53-84)(54-69)(55-63)(55-88)(56-71)(57-70)(57-79)(58-75)(58-80)(59-60)(59-72)(60-82)(61-71)(61-93)(62-73)(63-67)(64-75)(64-87)(65-76)(65-90)(66-76)(66-81)(67-71)(69-73)(69-97)(72-91)(72-94)(73-96)(74-92)(74-95)(77-103)(78-99)(79-105)(80-106)(81-107)(82-100)(83-96)(83-97)(83-98)(84-93)(84-102)(85-86)(85-103)(86-105)(87-90)(87-106)(88-89)(88-98)(89-104)(90-107)(91-95)(91-102)(92-94)(92-99)(93-101)(94-100)(95-101)(96-104)(97-108)(102-109)(103-109)(104-109)(105-109)(106-109)(107-109)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MG-636.9— 10.1007/s11243-016-0106-8 2017
BEL-740220— 10.1007/s11243-016-0106-8 2017
A54921— 10.1007/s11243-016-0106-8 2017
HepG240— 10.1007/s11243-016-0106-8 2017
HeLa—— 10.1007/s11243-016-0106-8 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.

experimental validation surface
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