739358 -OEChem-10051721273D 26 27 0 0 0 0 0 0 0999 V2000 0.2761 -1.7087 0.0038 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5924 -2.4032 -0.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7734 1.4009 0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 -0.3861 0.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8048 0.8000 -0.0242 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 -0.6982 0.0231 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7914 1.9000 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 1.9835 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5547 1.0179 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 0.6870 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -0.6155 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4005 -1.1973 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3524 -0.3893 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 0.1746 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1165 -0.5656 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2061 2.9145 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9141 1.5449 -1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2164 2.4566 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 2.6518 -0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1933 1.1226 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 1.2948 0.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4003 -0.8631 0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8824 -1.6961 0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -1.0935 1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 0.1413 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1596 -1.2853 -0.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 14 15 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 M END > DB08776 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OYHOEDBNAJPFKK-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)NC1=NC2=C(S1)C(=O)NCCC2 > InChI=1S/C9H11N3O2S/c1-5(13)11-9-12-6-3-2-4-10-8(14)7(6)15-9/h2-4H2,1H3,(H,10,14)(H,11,12,13) > OYHOEDBNAJPFKK-UHFFFAOYSA-N > C9H11N3O2S > 225.268 > 225.057197301 > 3 > 26 > -0.11247921247674744 > 22.557948966955458 > 1 > 2 > 0 > 1 > N-{4-oxo-4H,5H,6H,7H,8H-[1,3]thiazolo[5,4-c]azepin-2-yl}acetamide > 0.11 > 0.11912788166666664 > -2.97 > 0 > 0 > 2 > 0 > 13.051420649243484 > 7.897110128685922 > -1.9188728897049905 > 71.09 > 56.8487 > 1 > 1 > 2.41e-01 g/l > tetrahydrofolic acid > 0 $$$$