home← all complexes Ir builderC^N familiesD-MPNN

Complex #1989 — Ru(2) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID1989
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 4, "P": 1}
Abbreviation4
SMILESC1N2CN3CN1CP(C2)C3.O=C(NCCc1ccccc1)c1c2ccccc2cc2ccccc12.[Cl-].[Cl-]

TUCAN

C29Cl2N4OPRu/(1-7)(1-16)(2-3)(2-7)(3-17)(4-6)(4-8)(5-8)(5-21)(6-19)(9-17)(9-19)(10-12)(10-20)(11-20)(11-22)(12-13)(13-15)(14-15)(14-20)(16-17)(16-18)(18-21)(18-26)(19-21)(22-30)(23-31)(23-33)(24-31)(24-32)(25-32)(25-33)(26-30)(26-34)(27-31)(27-35)(28-32)(28-35)(29-33)(29-35)

Measurements (36)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
LN-18—— 10.1021/ic202530j 2012
LN-18—— 10.1021/ic202530j 2012
LN-18—— 10.1021/ic202530j 2012
LN229—— 10.1021/ic202530j 2012
LN229—— 10.1021/ic202530j 2012
LN229—— 10.1021/ic202530j 2012
LNZ308—— 10.1021/ic202530j 2012
LNZ308—— 10.1021/ic202530j 2012
LNZ308—— 10.1021/ic202530j 2012
SW480—— 10.1021/ic202530j 2012
SW480—— 10.1021/ic202530j 2012
SW480—— 10.1021/ic202530j 2012
HT-29—— 10.1021/ic202530j 2012
HT-29—— 10.1021/ic202530j 2012
HT-29—— 10.1021/ic202530j 2012
Caco-2—— 10.1021/ic202530j 2012
Caco-2—— 10.1021/ic202530j 2012
Caco-2—— 10.1021/ic202530j 2012
A549—— 10.1021/ic202530j 2012
A549—— 10.1021/ic202530j 2012
A549—— 10.1021/ic202530j 2012
MDA-MB-231—— 10.1021/ic202530j 2012
MDA-MB-231—— 10.1021/ic202530j 2012
MDA-MB-231—— 10.1021/ic202530j 2012
MCF-7—— 10.1021/ic202530j 2012
MCF-7—— 10.1021/ic202530j 2012
MCF-7—— 10.1021/ic202530j 2012
HCEC—— 10.1021/ic202530j 2012
HCEC—— 10.1021/ic202530j 2012
HCEC—— 10.1021/ic202530j 2012
A2780—— 10.1021/ic202530j 2012
A2780—— 10.1021/ic202530j 2012
A2780—— 10.1021/ic202530j 2012
A2780cisR—— 10.1021/ic202530j 2012
A2780cisR—— 10.1021/ic202530j 2012
A2780cisR—— 10.1021/ic202530j 2012

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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