46196517 -OEChem-06121809503D 38 41 0 1 0 0 0 0 0999 V2000 3.8967 -3.0747 -0.1247 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 -0.7810 -0.1938 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7174 2.4566 -0.2039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6503 -1.1624 -0.6952 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 0.2248 -0.3561 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4469 0.5114 0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7489 0.4466 -0.4806 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4931 -0.9007 1.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9017 0.9400 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4231 -0.6410 -1.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5454 -0.0300 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -1.8404 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 1.2650 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0092 0.8715 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1159 1.6760 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 0.9332 0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 -0.4417 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 1.3751 0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 -1.3742 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 0.4528 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4716 -0.9069 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 1.2110 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8852 1.4153 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4777 -1.2803 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9858 -0.8709 2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4659 0.9363 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 1.9625 0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6824 -0.2222 -2.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -1.4753 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8129 0.5053 -1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4918 -0.4104 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1601 -2.2245 1.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 -2.7237 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 -0.7324 -0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0628 2.7567 0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 2.4374 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7535 0.8046 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3061 -1.6039 0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 13 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 12 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > DB11726 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SSRDSYXGYPJKRR-ZDUSSCGKSA-N/SDF?record_type=3d > ClC1=C2SC(=CC2=CC=C1)C(=O)N[C@H]1CN2CCC1CC2 > InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1 > SSRDSYXGYPJKRR-ZDUSSCGKSA-N > C16H17ClN2OS > 320.84 > 320.075012 > 2 > 38 > 33.79362868295045 > 1 > 1 > 0 > 1 > N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-chloro-1-benzothiophene-2-carboxamide > 3.33 > 3.035720071 > -4.57 > 0 > 4 > 1 > 14.41992891035025 > 7.277528906098705 > 32.34 > 85.9324 > 2 > 1 > 8.72e-03 g/l > encenicline > 1 $$$$