69602 -OEChem-02072018383D 22 22 0 0 0 0 0 0 0999 V2000 -3.2233 0.2906 -0.8104 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4797 0.1222 0.7227 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -0.5148 -1.0615 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -0.5255 0.6661 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 1.3940 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 1.4318 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3224 0.4961 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 0.4924 0.8014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5932 -0.3345 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7586 -1.1127 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 -1.7397 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 1.0735 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5397 2.4090 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4804 1.7582 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7007 2.1322 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -0.4886 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -0.7879 -1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 1.1540 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2584 -1.9644 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9472 -1.9889 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 -2.4370 0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0087 -1.8317 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 M END > DB04622 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XJWPISBUKWZALE-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)NCCC1=CNC=N1 > InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) > XJWPISBUKWZALE-UHFFFAOYSA-N > C7H11N3O > 153.1817 > 153.090211989 > 2 > 22 > 0.35995190430686125 > 16.235722701414907 > 1 > 2 > 0 > 0 > N-[2-(1H-imidazol-5-yl)ethyl]acetamide > -0.18 > -1.220648305333333 > -1.73 > 0 > 1 > 1 > 0 > 16.02849282228759 > 12.938051444680584 > 6.75003375449602 > 57.78 > 41.6729 > 3 > 1 > 2.84e+00 g/l > L-threoninol > 0 $$$$