54677674 -OEChem-10061700033D 53 55 0 0 0 0 0 0 0999 V2000 4.3433 2.5789 -0.2304 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3258 1.1721 0.0771 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0254 -2.2499 0.2489 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.4148 1.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 -0.3609 -0.3110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7274 -0.0433 0.0256 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -1.7092 -0.7626 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 0.5139 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 0.3236 0.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7903 0.9699 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7367 0.7737 1.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5730 1.6561 0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 -0.8261 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0009 -2.1042 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 -2.6433 -0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 -0.3615 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 -0.6414 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2738 1.2703 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7528 -1.0503 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9602 1.6632 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2539 -1.6839 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 0.6629 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4749 -1.2457 -1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5795 -1.0231 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 3.0743 -0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0456 3.6986 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 1.1955 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6915 -0.0264 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 1.3906 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -0.3377 1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4503 0.1035 -0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2990 1.6556 -1.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4981 1.3210 2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3226 -0.1063 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 2.6127 0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5375 1.8807 1.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7205 -0.0414 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6639 -1.0763 -1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7759 -2.8778 -0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8171 -1.9338 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8622 -2.8580 -1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 -3.5783 -0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7743 0.5295 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4902 -1.0537 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 -1.1552 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3031 -0.4026 2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1347 -2.0115 1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 -1.3857 -1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1227 -0.7857 -2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0294 -2.2421 -1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 3.6303 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2412 4.7570 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 2.0197 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 26 1 0 0 0 0 2 22 1 0 0 0 0 2 53 1 0 0 0 0 3 19 2 0 0 0 0 4 21 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 7 44 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 20 2 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > DB05596 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SCHKZZSVELPJKU-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)N1C2=C(C=CS2)C(O)=C(C(=O)NCCCN2CCCCC2)C1=O > InChI=1S/C19H27N3O3S/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24) > SCHKZZSVELPJKU-UHFFFAOYSA-N > C19H27N3O3S > 377.5 > 377.177312915 > 4 > 53 > 42.17257110997457 > 1 > 2 > 0 > 0 > 4-hydroxy-6-oxo-N-[3-(piperidin-1-yl)propyl]-7-(propan-2-yl)-6H,7H-thieno[2,3-b]pyridine-5-carboxamide > 2.21 > -0.6751805159636909 > -3.94 > 1 > 3 > 0 > 15.203483999925364 > 5.247878500424434 > 9.241846154392656 > 72.88 > 103.54019999999996 > 6 > 1 > 4.34e-02 g/l > 4-hydroxy-7-isopropyl-6-oxo-N-[3-(piperidin-1-yl)propyl]thieno[2,3-b]pyridine-5-carboxamide > 0 $$$$