home← all complexes Ir builderC^N familiesD-MPNN

Complex #1617 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID1617
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 1, "O": 2}
Abbreviation4
SMILESO=C(CCc1cccnc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(=O)[O-].c1ccccc1

TUCAN

C26H18F17NO6Ru/(1-27)(2-32)(3-28)(4-28)(5-29)(6-29)(7-19)(8-26)(9-20)(10-21)(11-25)(12-22)(13-23)(14-24)(15-27)(16-33)(17-33)(18-31)(19-20)(19-21)(20-22)(21-23)(22-24)(23-24)(25-26)(25-32)(26-30)(27-33)(27-41)(28-29)(28-36)(29-30)(30-31)(31-45)(32-45)(33-51)(34-35)(34-46)(34-47)(35-48)(35-49)(36-50)(36-51)(37-39)(37-42)(37-53)(37-54)(38-39)(38-44)(38-58)(38-64)(39-55)(39-57)(40-41)(40-43)(40-63)(40-67)(41-61)(41-62)(42-43)(42-56)(42-65)(43-66)(43-68)(44-52)(44-59)(44-60)(45-69)(51-69)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278073— 10.1021/jm501655t 2015
MDA-MB-231—— 10.1021/jm501655t 2015
HEK293—— 10.1021/jm501655t 2015
ECRF24—— 10.1021/jm501655t 2015
HUVEC—— 10.1021/jm501655t 2015

🧬 Cell Death Types (1)

Apoptosis high
«For 1, only a moderate induction of apoptosis was observed in A2780 cells»

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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