home← all complexes Ir builderC^N familiesD-MPNN

Complex #1986 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1986
MetalRu
Oxidation state2
Charge0
Donor atoms{"P": 1, "N": 1}
Abbreviation1
SMILESCC1(C)O[C@H]2O[C@@H]3C4COP(O4)O[C@@H]3[C@H]2O1.O=C(NCc1ccccc1)c1c2ccccc2cc2ccccc12.[Cl-].[Cl-]

TUCAN

C31H30NO7PRu/(1-35)(2-33)(3-36)(4-37)(5-44)(6-53)(7-34)(8-38)(9-43)(10-46)(11-42)(12-53)(13-39)(14-56)(15-57)(16-54)(17-55)(18-60)(19-54)(20-58)(21-40)(22-41)(23-45)(24-31)(25-31)(26-31)(27-32)(28-32)(29-32)(30-62)(31-61)(32-61)(33-37)(33-38)(34-37)(34-49)(35-36)(35-52)(36-41)(38-47)(39-40)(39-46)(40-45)(41-44)(42-44)(42-52)(43-49)(43-50)(45-48)(46-50)(47-49)(47-51)(48-50)(48-51)(51-59)(52-53)(53-62)(54-58)(54-67)(55-57)(55-58)(55-68)(56-57)(56-60)(56-64)(57-65)(58-66)(59-62)(59-63)(60-68)(60-69)(61-64)(61-69)(65-70)(66-70)(67-70)(68-71)(69-71)

Measurements (36)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A278030— 10.1021/ic202530j 2012
A278035— 10.1021/ic202530j 2012
LN22940— 10.1021/ic202530j 2012
Caco-240— 10.1021/ic202530j 2012
A2780cisR40— 10.1021/ic202530j 2012
LN-1850— 10.1021/ic202530j 2012
HCEC50— 10.1021/ic202530j 2012
HCEC60— 10.1021/ic202530j 2012
LN22970— 10.1021/ic202530j 2012
SW48070— 10.1021/ic202530j 2012
SW48080— 10.1021/ic202530j 2012
LN-1890— 10.1021/ic202530j 2012
Caco-295— 10.1021/ic202530j 2012
HT-291e+02— 10.1021/ic202530j 2012
LN2291.1e+02— 10.1021/ic202530j 2012
MDA-MB-2311.1e+02— 10.1021/ic202530j 2012
HT-291.2e+02— 10.1021/ic202530j 2012
MDA-MB-2311.2e+02— 10.1021/ic202530j 2012
A27801.2e+02— 10.1021/ic202530j 2012
Caco-21.2e+02— 10.1021/ic202530j 2012
LNZ3081.4e+02— 10.1021/ic202530j 2012
LNZ3081.6e+02— 10.1021/ic202530j 2012
LNZ3082e+02— 10.1021/ic202530j 2012
LN-18—— 10.1021/ic202530j 2012
SW480—— 10.1021/ic202530j 2012
HT-29—— 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
MCF-7—— 10.1021/ic202530j 2012
MCF-7—— 10.1021/ic202530j 2012
MCF-7—— 10.1021/ic202530j 2012
HCEC—— 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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