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ML-179 Structure

ML-179

Chemical Properties

Density  1.329±0.06 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: 10 mg/ml
form  A crystalline solid
pka 9.37±0.40(Predicted)
color  White to off-white
InChI InChI=1S/C21H25F3N4O2/c22-21(23,24)15-5-4-8-17(13-15)26-9-11-27(12-10-26)18-14-19(29)28(20(30)25-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,25,30)
InChIKey MFABFKUNLDYKGH-UHFFFAOYSA-N
SMILES C1(=O)NC(N2CCN(C3=CC=CC(C(F)(F)F)=C3)CC2)=CC(=O)N1C1CCCCC1

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ML-179 Spectrum

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