home← all complexes Ir builderC^N familiesD-MPNN

Complex #1892 — Ru(2) [9]

2D Structure

Structure
⬇ MOL V3000

Info

ID1892
MetalRu
Oxidation state2
Charge0
Donor atoms{"S": 1, "N": 3}
Abbreviation9
SMILESCc1ccc(C(C)C)cc1.[Cl-].[S-]/C(=N\N=C(c1ccccc1)c1ccccc1)Nc1ccccc1

TUCAN

C30H30N3RuS/(1-34)(2-44)(3-38)(4-32)(5-32)(6-32)(7-33)(8-35)(9-46)(10-39)(11-36)(12-37)(13-43)(14-49)(15-47)(16-50)(17-51)(18-48)(19-45)(20-57)(21-31)(22-41)(23-40)(24-52)(25-31)(26-42)(27-33)(28-31)(29-33)(30-61)(31-53)(32-57)(33-57)(34-38)(34-55)(35-39)(35-58)(36-39)(36-50)(37-38)(37-43)(40-41)(40-53)(41-54)(42-52)(42-54)(43-44)(44-55)(45-47)(45-48)(46-50)(46-58)(47-49)(48-51)(49-56)(51-56)(52-53)(54-57)(55-59)(56-59)(58-61)(59-62)(60-61)(60-63)(60-64)(62-63)(62-65)(63-65)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HEK293T10— 10.1021/ic401362s 2013
SGC-790117— 10.1021/ic401362s 2013
BEL-740417— 10.1021/ic401362s 2013

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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