"-2.2" . "C30H46NO7P" . "52.08" . "543.221679669" . "39.09" . "InChIKey=URXWVWVPMJSAJD-KOORYGTMSA-N" . "1" . "COC1=CC2=C(NC=C2CCNC(C)=O)C=C1" . "ChemAxon" . "114.33" . "InChI=1/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+" . "399.3691" . "C10H13N5O2" . "14.72" . "ALOGPS" . "-0.91" . "44.59" . "31.57" . "-1.5" .