5092 -OEChem-12021918343D 41 43 0 1 0 0 0 0 0999 V2000 -2.2269 0.1355 -0.3387 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2637 -2.5420 0.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0293 0.6346 0.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 1.8435 -0.0812 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3894 1.2758 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6638 1.1274 1.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 2.5131 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7837 1.5211 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1350 2.3855 -0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.0697 -0.5753 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7049 1.5673 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.4560 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 -0.6250 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 -0.5658 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1512 0.0787 -0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8365 0.7037 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 -1.9689 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0827 -1.9056 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1145 -2.6091 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8882 -3.1835 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5292 1.4270 1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 1.8238 2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8107 0.1135 1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 2.5782 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5201 3.4183 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 2.0561 0.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2297 0.6290 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2317 1.8930 -1.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6136 3.3667 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8947 -0.0631 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 2.1829 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1899 1.8266 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -1.3321 -0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -0.6804 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1497 1.1186 -0.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 2.7753 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 -2.5453 0.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1073 -3.6569 0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1264 -2.4552 -1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -3.6401 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -3.9695 -1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 35 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 M END > DB01954 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HJORMJIFDVBMOB-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(OC2CCCC2)C=C(C=C1)C1CNC(=O)C1 > InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) > HJORMJIFDVBMOB-UHFFFAOYSA-N > C16H21NO3 > 275.348 > 275.15214354 > 3 > 41 > 30.28696588881397 > 1 > 1 > 0 > 1 > 4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one > 2.51 > 1.958526836 > -3.61 > 0 > 3 > 0 > 14.28276982215358 > -1.9269219764857985 > 47.56 > 76.16410000000002 > 4 > 1 > 6.72e-02 g/l > rolipram > 0 $$$$