3000541 -OEChem-10051721093D 39 40 0 0 0 0 0 0 0999 V2000 5.4083 0.5825 0.1690 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 3.8084 0.9472 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 -1.8862 -1.6718 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 -3.1515 -0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 2.4079 -0.5001 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4012 -0.0878 1.4519 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 1.5527 -0.5811 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 2.0910 0.4876 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5679 0.1954 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 1.4224 -1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5366 -0.5038 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 -1.5197 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 -2.1492 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 -1.7492 1.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 2.5216 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4666 -0.7231 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 -3.3086 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 1.3185 -0.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1487 -3.8842 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6469 0.3110 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 0.0746 -0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7306 0.8452 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0545 1.8320 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3841 0.5112 0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0207 -0.4996 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 1.9076 -1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3141 1.1436 -2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1292 3.1048 -0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 -2.2159 2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.3768 3.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 -3.9908 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 -2.3507 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7143 0.8934 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 -4.0199 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7697 -4.8513 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1834 -3.2255 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0765 -0.2865 -1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4876 -0.7129 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5634 2.4672 1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 15 2 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 5 28 1 0 0 0 0 6 11 2 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 33 1 0 0 0 0 8 18 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 23 39 1 0 0 0 0 M END > DB07797 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VEBKSFPYWMOUBR-UHFFFAOYSA-N/SDF?record_type=3d > CCOC1=C(F)C(CCNC(=S)NC2=NC=C(Cl)C=C2)=NC=C1 > InChI=1S/C15H16ClFN4OS/c1-2-22-12-6-8-18-11(14(12)17)5-7-19-15(23)21-13-4-3-10(16)9-20-13/h3-4,6,8-9H,2,5,7H2,1H3,(H2,19,20,21,23) > VEBKSFPYWMOUBR-UHFFFAOYSA-N > C15H16ClFN4OS > 354.83 > 354.071737756 > 3 > 39 > 0.00047309590661231076 > 35.46215066705767 > 1 > 2 > 0 > 1 > 3-(5-chloropyridin-2-yl)-1-[2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl]thiourea > 3.14 > 3.1389100213333334 > -5.11 > 0 > 0 > 2 > 0 > 19.311734912131715 > 13.213973875907774 > 3.6757167222657894 > 59.07000000000001 > 93.50779999999999 > 6 > 1 > 2.78e-03 g/l > biotin > 0 $$$$