9547984 -OEChem-10051721193D 42 43 0 0 0 0 0 0 0999 V2000 -0.9212 -3.7778 -0.9151 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8914 1.9558 1.6570 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 3.1175 0.1016 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -2.3187 0.5066 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.1466 -1.4521 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 -1.5159 0.5831 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 -2.1277 -0.4771 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5788 -0.0614 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -1.2966 1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4981 0.5888 -0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 1.5682 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7327 2.1456 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.4687 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5717 1.7246 -1.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4148 0.7310 -2.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -1.3278 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3943 3.2092 -0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -0.9330 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6344 -0.3247 1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.1300 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 -1.9089 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3173 3.7542 0.6405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1627 -0.7503 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 0.6623 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4006 -0.3471 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9438 -1.7505 1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -1.0406 2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2347 -3.0008 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 2.1517 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3337 0.3704 -3.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 -0.8424 1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3883 3.8848 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 2.2308 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 0.2997 1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 0.6480 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -2.5682 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 3.1086 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9834 4.7441 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 3.8339 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7251 -1.3412 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4605 -1.0627 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4463 0.3023 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 10 2 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 7 16 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END > DB08372 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QOVMZMFNTIUFLU-UHFFFAOYSA-N/SDF?record_type=3d > CCOC1=C(F)C(CCNC(=S)NC2=CC=C(C)C=N2)=NC=C1 > InChI=1S/C16H19FN4OS/c1-3-22-13-7-9-18-12(15(13)17)6-8-19-16(23)21-14-5-4-11(2)10-20-14/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,19,20,21,23) > QOVMZMFNTIUFLU-UHFFFAOYSA-N > C16H19FN4OS > 334.412 > 334.126360145 > 3 > 42 > 0.0008805944289751157 > 35.33526397932904 > 1 > 2 > 0 > 1 > 1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]-3-(5-methylpyridin-2-yl)thiourea > 2.64 > 3.048286734333333 > -4.90 > 0 > 0 > 2 > 0 > 19.361984123696143 > 13.21953215727819 > 3.857095231833841 > 59.07000000000001 > 93.74419999999999 > 6 > 1 > 4.20e-03 g/l > biotin > 0 $$$$