AAI Mrv0541 02241213212D 21 23 0 0 0 0 999 V2000 1.1727 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 -0.5350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 0.7999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 -0.6925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8712 -0.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8712 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 0.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1567 -1.5175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8712 -1.9300 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4423 -1.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3477 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0648 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3023 0.1325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0648 -0.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1273 0.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3648 0.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 11 1 0 0 0 0 10 6 1 0 0 0 0 12 10 2 0 0 0 0 13 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 20 19 1 0 0 0 0 20 21 1 0 0 0 0 M END > DB07330 > drugbank > CCCN1CCC(CC1)C1=NC2=C(N1)C(=CC=C2)C(N)=O > InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19) > InChIKey=KXSIHXHEHABEJX-UHFFFAOYSA-N > 3 > 32.70333856790007 > 1 > 2 > 286.179361346 > 0 > C16H22N4O > 1 > 2-(1-propylpiperidin-4-yl)-1H-1,3-benzodiazole-7-carboxamide > 2.02 > 1.2407532644591448 > -2.93 > 286.3721 > 0 > 3 > 1 > 15.085761556936081 > 9.94548790752557 > 9.564607669778622 > 75.01 > 83.4865 > 4 > 1 > 3.39e-01 g/l > 2-(1-propylpiperidin-4-yl)-3H-1,3-benzodiazole-4-carboxamide > 0 > DB07330 > experimental > trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium $$$$