32170 -OEChem-01162021413D 39 39 0 1 0 0 0 0 0999 V2000 3.4015 1.7659 0.2174 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3207 0.6286 -1.8669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 -1.9038 0.5278 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -1.0721 0.8772 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.9702 -0.3721 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0882 -0.2537 -0.2082 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 -1.4626 -0.8239 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0663 -0.2077 0.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0229 -0.2353 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4288 0.3048 1.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 -2.2734 -2.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 0.7030 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 2.0789 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3906 0.3838 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3107 1.1243 2.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 2.7801 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 2.7092 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -0.8787 0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4947 -3.2211 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -2.1246 -0.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 0.6669 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6329 -0.8350 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8374 -1.7548 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8809 0.9266 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1086 -0.5373 1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 -2.6218 -2.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 -3.1512 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5299 -1.6762 -2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2991 -1.1306 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 0.5251 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6684 1.9978 2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 1.4795 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2728 3.8389 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2159 2.3195 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3234 3.7739 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 2.7007 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8688 -3.2427 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 -3.9035 0.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2720 -3.5385 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 9 2 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 18 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 10 15 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END > DB09009 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QTGIAADRBBLJGA-UHFFFAOYSA-N/SDF?record_type=3d > CCCNC(C)C(=O)NC1=C(SC=C1C)C(=O)OC > InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16) > QTGIAADRBBLJGA-UHFFFAOYSA-N > C13H20N2O3S > 284.374 > 284.119463206 > 3 > 39 > 0.9795980329529448 > 30.54147076251795 > 1 > 2 > 0 > 1 > methyl 4-methyl-3-[2-(propylamino)propanamido]thiophene-2-carboxylate > 1.93 > 3.2472810526666667 > -4.00 > 0 > 1 > 1 > 1 > 11.611078430441422 > 8.6819138839737 > 67.43 > 76.7782 > 7 > 1 > 2.85e-02 g/l > edaglitazone > 0 $$$$