2797541 -OEChem-10051721033D 31 32 0 0 0 0 0 0 0999 V2000 1.3381 2.2426 0.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0661 -1.4694 -0.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -1.0679 -1.7463 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4295 -2.2415 -0.0699 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.4448 -2.8618 0.6338 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 0.2651 0.6797 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0051 2.4067 -0.0516 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -1.9937 0.1701 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6268 -0.0280 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 0.5317 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 -0.4711 0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4151 0.9654 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 0.8894 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.1981 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 -0.3911 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8735 -1.0140 -0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 1.8698 -0.6063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 -0.6906 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0797 1.5703 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 0.2901 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1084 -0.8768 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7306 0.7314 -0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6455 -0.2324 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 1.3832 1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 0.3796 0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9092 -1.2571 1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7209 -1.1527 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3961 2.8782 -0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7393 2.3340 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6176 0.0932 -0.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -1.8324 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 31 1 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 14 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 16 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > DB07498 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LQQYZJRCWBRIMW-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CCCC1=NC(=NO1)C1=CC(=CC=C1)[N+]([O-])=O > InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17) > LQQYZJRCWBRIMW-UHFFFAOYSA-N > C12H11N3O5 > 277.2328 > 277.069870477 > 6 > 31 > -0.9989370016501271 > 26.829474485130845 > 1 > 1 > 0 > 1 > 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid > 1.93 > 2.5308650823333334 > -3.14 > 0 > -1 > 2 > -1 > 4.026994638210494 > -2.570189474775703 > 119.36 > 78.3407 > 6 > 1 > 1.99e-01 g/l > tetrahydrofolic acid > 0 $$$$