5327096 -OEChem-11111916303D 33 34 0 0 0 0 0 0 0999 V2000 2.6175 0.5777 1.2142 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9605 -1.6289 -0.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 -0.3436 0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8717 -0.8473 -0.8096 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 -0.3050 -0.8096 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 0.6843 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 0.2023 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6043 1.6430 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2139 -0.4607 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2124 -0.5581 -0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 -0.2989 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1428 -0.8181 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9102 -0.9902 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2836 -0.1374 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4192 1.2456 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2436 -0.8609 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4956 1.8543 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4014 1.0417 -0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2707 1.2645 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 1.1333 -1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6118 2.0336 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 2.4934 -1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9649 -1.1239 1.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2183 -0.0598 0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2396 -1.0662 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -0.9331 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4419 -1.8232 1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8937 -0.2856 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 0.1556 1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 1.8584 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1918 -1.9429 -0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6212 2.9307 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2581 1.4674 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 13 2 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 29 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 16 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 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 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > DB08677 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WQZOOPQQADNJEG-UHFFFAOYSA-N/SDF?record_type=3d > [H]N(C(=O)CC1=CN=CC=C1)C1=NC=C(S1)C(C)C > InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17) > WQZOOPQQADNJEG-UHFFFAOYSA-N > C13H15N3OS > 261.343 > 261.093582807 > 3 > 33 > 27.858825011789122 > 1 > 1 > 0 > 1 > N-[5-(propan-2-yl)-1,3-thiazol-2-yl]-2-(pyridin-3-yl)acetamide > 2.10 > 2.5481149320000007 > -3.98 > 0 > 2 > 0 > 8.011318398429697 > 4.869519353900215 > 54.88 > 72.2196 > 4 > 1 > 2.76e-02 g/l > biib021 > 0 $$$$