154104 -OEChem-10051722453D 38 41 0 1 0 0 0 0 0999 V2000 3.8947 -2.1938 0.1952 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 2.5086 0.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 -1.3708 0.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3245 -0.8974 -1.0375 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 0.4254 -0.3316 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 1.6074 -0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 0.2124 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4614 0.6217 -0.3507 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5909 0.6488 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1065 -1.3220 1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1326 -0.1511 -1.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2393 0.0352 -0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8809 -1.9323 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 1.3921 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 0.9542 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -0.4829 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 1.8792 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 -0.6860 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 0.3377 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 -0.1088 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 -1.4777 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6167 0.6712 1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6385 1.6950 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 1.7421 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1251 0.3200 1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 -1.6291 2.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -1.6978 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 0.5540 -2.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 -0.8459 -1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -0.4892 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5497 0.8301 -1.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 -2.6717 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 -2.4909 0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 -0.4796 -0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 2.9358 -0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1745 2.4056 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2344 0.5198 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 -2.0956 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 16 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 34 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > DB12402 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AFUWQWYPPZFWCO-LBPRGKRZSA-N/SDF?record_type=3d > O=C(N[C@H]1CN2CCC1CC2)C1=CNC2=C(SC=C2)C1=O > InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1 > AFUWQWYPPZFWCO-LBPRGKRZSA-N > C15H17N3O2S > 303.38 > 303.104147973 > 4 > 38 > 31.706544372837556 > 1 > 2 > 0 > 1 > N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H,7H-thieno[3,2-b]pyridine-6-carboxamide > 1.19 > 0.340948832093955 > -3.53 > 0 > 4 > 0 > 15.841317246614054 > 6.638118850467665 > 7.451324240753159 > 61.440000000000005 > 82.6721 > 2 > 1 > 9.02e-02 g/l > N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide > 0 $$$$