46937079 -OEChem-12201918453D 21 22 0 0 0 0 0 0 0999 V2000 -2.6116 -1.4414 -0.0569 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2867 1.5672 0.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 1.1486 0.0423 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9748 -0.4570 1.1779 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7412 0.1643 0.0135 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -0.6861 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -1.3069 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -0.6536 -0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2313 0.7899 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -0.2823 -1.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3788 0.1370 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 0.3300 -1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 0.5493 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 0.1410 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 -2.3935 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 -0.4569 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.6359 -2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 1.0250 0.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 0.2894 2.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2509 1.0403 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 -0.6907 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 9 2 0 0 0 0 3 9 1 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 M END > DB07529 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LHGOQMPIWSCKBA-FNORWQNLSA-N/SDF?record_type=3d > N=C1NC(=O)\C(S1)=C/C1=CC=CC=N1 > InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+ > LHGOQMPIWSCKBA-FNORWQNLSA-N > C9H7N3OS > 205.236 > 205.030982551 > 3 > 21 > 0.0012936550160039858 > 19.98746910309338 > 1 > 2 > 0 > 1 > (5E)-2-imino-5-[(pyridin-2-yl)methylidene]-1,3-thiazolidin-4-one > 0.89 > 0.8786091693333333 > -2.65 > 0 > 0 > 2 > 0 > 10.851347337128614 > 4.157343661965636 > 65.84 > 66.089 > 1 > 1 > 4.58e-01 g/l > (5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(trifluoromethyl)-1,3-thiazol-4-one > 0 $$$$