"ALOGPS" . "7.25" . "104.107539075" . "812.0037" . "0" . "-3.9" . "430.199153314" . "CC1=CC=CC(=C)[C@H]1N" . "15.41" . "3" . "C17H15N5O" . "(3R,4R)-3-(4-hydroxybenzamido)azepan-4-yl 4-hydroxybenzoate" . "311.743" . "663.4251" . "2" . "ChemAxon" . "-5.2" . "InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)" . "0.67" .