18690028 -OEChem-10051721213D 44 46 0 0 0 0 0 0 0999 V2000 4.4355 2.2243 0.4035 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 0.4339 -0.5832 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 -2.2330 -0.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1709 -0.0607 1.6469 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 -0.9573 0.2043 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -0.0700 0.0368 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 -1.6814 -0.4533 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -1.5614 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5744 -0.7817 -1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -1.3500 1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0599 -1.1360 -1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 -1.6926 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 -1.2173 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -0.1832 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3979 1.2475 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5059 0.3654 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8237 1.8397 -1.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 2.3561 0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 -0.4041 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6932 0.5790 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0298 0.2910 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8532 1.4362 0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1147 2.5557 0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -2.6309 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 0.2969 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -0.9961 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1352 -1.9666 1.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2549 -0.3039 1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6095 -0.5297 -1.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2133 -2.1873 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 -2.7616 1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 -1.4733 2.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4742 0.8756 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 0.1076 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5837 -0.5766 -0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7077 2.4782 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 2.4343 -2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0474 1.0453 -2.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7699 3.1568 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0514 2.7974 0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9636 2.0409 1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4192 -0.6870 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9324 1.4388 -0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4809 3.5523 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 13 2 0 0 0 0 6 19 1 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END > DB08469 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/METBQPRXNZHZMB-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)OC(=O)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1 > InChI=1S/C16H21N3O3S/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)14-17-13(18-22-14)12-5-4-10-23-12/h4-5,10-11H,6-9H2,1-3H3 > METBQPRXNZHZMB-UHFFFAOYSA-N > C16H21N3O3S > 335.421 > 335.130362243 > 3 > 44 > 9.286968831791584e-11 > 36.664934147545324 > 1 > 0 > 0 > 1 > tert-butyl 4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate > 3.77 > 3.256396291666667 > -3.69 > 0 > 0 > 3 > 0 > -3.0286442921931314 > 68.46000000000001 > 98.84250000000003 > 4 > 1 > 6.87e-02 g/l > tetrahydrofolic acid > 0 $$$$