4829 -OEChem-10051719303D 45 47 0 1 0 0 0 0 0999 V2000 -5.0292 1.0875 0.1775 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 1.7558 -0.9119 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2929 -2.6972 -0.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5995 1.0998 0.7308 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6189 -0.9104 0.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4515 0.5301 -1.1303 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3099 -0.4957 -0.3561 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1474 -0.8907 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 -0.1835 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4333 -1.5050 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5711 1.0398 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0255 -0.7677 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 2.6209 -0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4699 1.1177 -0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2291 2.5854 0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 1.6941 0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 -0.1133 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3697 1.2569 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6386 0.4300 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 -1.2021 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 0.8528 1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1087 -2.5560 0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 -0.4093 1.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0174 -0.6911 -1.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0818 -3.6488 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0179 -0.4106 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 -0.7241 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 -1.9727 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 1.4972 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 -1.7248 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9511 2.9944 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 3.3246 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8257 3.6003 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 2.2145 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 2.6620 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8216 -0.5671 -1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4656 -1.4643 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 1.4798 2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8899 -2.5761 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6182 -2.7816 -0.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 -0.7646 2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0725 -1.2625 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3101 -3.6851 -0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5719 -4.6267 0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5855 -3.4770 1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 10 2 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 37 1 0 0 0 0 6 18 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 17 2 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M END > DB01132 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HYAFETHFCAUJAY-UHFFFAOYSA-N/SDF?record_type=3d > CCC1=CN=C(CCOC2=CC=C(CC3SC(=O)NC3=O)C=C2)C=C1 > InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23) > HYAFETHFCAUJAY-UHFFFAOYSA-N > C19H20N2O3S > 356.439 > 356.119463206 > 4 > 45 > -0.6707191672617965 > 38.2407896550438 > 1 > 1 > 0 > 1 > 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 3.17 > 3.3282486994962537 > -4.91 > 1 > -1 > 3 > -1 > 16.485237326979 > 6.657648828138004 > 5.598025373258759 > 68.29 > 97.39080000000001 > 7 > 1 > 4.41e-03 g/l > tetrahydrofolic acid > 0 $$$$