"ALOGPS" . "-0.78" . "46.55" . "2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol" . "0" . "16.59" . "C20H23N7O7" . "C20H32F2O5" . "NC(N)=NCCC[C@H]1NC(=O)[C@H]2CCCN2C1=O" . "ChemAxon" . "354.787" . "InChI=1S/C23H28N2O4/c1-29-17-6-4-5-14(12-17)15-9-10-18-16(11-15)13-20(26)22(18)19(23(27)28)7-2-3-8-21(24)25/h4-6,9-12,19-20,22,26H,2-3,7-8,13H2,1H3,(H3,24,25)(H,27,28)/t19-,20+,22-/m1/s1" . "-3.7" . "InChIKey=VDJWWYRYKMXMKA-UHFFFAOYSA-N" . "1" . "74.68" .