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Complex #1533 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1533
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 6}
Abbreviation1
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C1c2cccc3cccc(c23)C(=O)N1c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1

TUCAN

C55H41N9O2Ru/(1-80)(2-79)(3-61)(4-51)(5-83)(6-42)(7-59)(8-42)(9-60)(10-52)(11-81)(12-48)(13-64)(14-42)(15-57)(16-43)(17-53)(18-47)(19-46)(20-43)(21-50)(22-65)(23-56)(24-54)(25-63)(26-62)(27-55)(28-82)(29-49)(30-43)(31-44)(32-44)(33-44)(34-45)(35-66)(36-84)(37-58)(38-45)(39-67)(40-45)(41-98)(42-68)(43-69)(44-72)(45-78)(46-49)(46-74)(47-50)(47-61)(48-74)(48-89)(49-55)(50-70)(51-68)(51-80)(52-68)(52-85)(53-69)(53-86)(54-72)(54-91)(55-89)(56-62)(56-70)(57-69)(57-81)(58-72)(58-82)(59-60)(59-83)(60-76)(61-73)(62-64)(63-65)(63-79)(64-77)(65-75)(66-78)(66-92)(67-78)(67-84)(70-71)(71-73)(71-77)(73-95)(74-94)(75-87)(75-88)(76-90)(76-93)(77-96)(79-97)(80-100)(81-101)(82-102)(83-103)(84-105)(85-86)(85-100)(86-101)(87-90)(87-97)(88-93)(88-98)(89-99)(90-103)(91-92)(91-102)(92-105)(93-104)(94-98)(94-104)(95-99)(95-106)(96-99)(96-107)(100-108)(101-108)(102-108)(103-108)(104-108)(105-108)

Measurements (9)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
PC-1234— 10.1007/s11243-016-0096-6 2016
SGC-790159— 10.1007/s11243-016-0096-6 2016
HepG2—— 10.1007/s11243-016-0096-6 2016
SiHa—— 10.1007/s11243-016-0096-6 2016
EC109—— 10.1007/s11243-016-0096-6 2016
HeLa—— 10.1007/s11243-016-0096-6 2016
EC9706—— 10.1007/s11243-016-0096-6 2016
HOS—— 10.1007/s11243-016-0096-6 2016
LO2—— 10.1007/s11243-016-0096-6 2016

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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