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D-MPNN
Complex #3289 — Ru(2)
[41]
2D Structure
⬇ MOL V3000
Info
ID
3289
Metal
Ru
Oxidation state
2
Charge
1
Donor atoms
{"N": 2}
Abbreviation
41
SMILES
COC(=O)c1ccnc(-c2cc(C(=O)OC)ccn2)c1.[Cl-].c1ccc2c(c1)CCC2
TUCAN
C23H22N2O4Ru/(1-27)(2-31)(3-23)(4-33)(5-42)(6-31)(7-42)(8-28)(9-33)(10-32)(11-29)(12-42)(13-32)(14-25)(15-43)(16-43)(17-26)(18-43)(19-38)(20-24)(21-39)(22-30)(23-27)(23-34)(24-36)(24-40)(25-36)(25-38)(26-37)(26-39)(27-29)(28-29)(28-35)(30-37)(30-41)(31-33)(31-34)(32-33)(32-35)(34-35)(36-44)(37-45)(38-46)(39-47)(40-41)(40-46)(41-47)(42-50)(43-51)(44-48)(44-50)(45-49)(45-51)(46-52)(47-52)
Measurements (1)
Cell line
IC₅₀ dark (µM)
IC₅₀ light (µM)
DOI
Year
A2780
—
—
10.1021/jm060596m
2006