2266114 -OEChem-10051720573D 43 45 0 1 0 0 0 0 0999 V2000 2.0128 -2.2307 -1.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 0.7196 -0.3069 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0414 -0.7733 -0.0551 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3694 -0.6975 0.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2813 -0.0692 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0242 1.4229 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2442 -0.2977 0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -0.5625 1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0596 -1.2493 0.8393 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3274 2.1964 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5454 0.4790 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2867 1.9654 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2827 -2.3099 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 -1.7875 -0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 -0.2838 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5841 -0.0508 0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 -0.6171 0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 1.1353 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9806 0.0211 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7449 1.7735 -0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9614 1.2162 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 -0.4766 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4816 1.8620 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3873 1.5632 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4657 -1.3671 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 0.0192 1.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 0.4979 1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 -1.0718 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4518 -1.7105 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 3.2667 -0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8077 1.8850 -1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 0.0686 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 0.3473 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 2.4788 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 2.4070 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5022 -2.4515 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5202 -3.2674 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 -1.5675 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8097 -1.5475 1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 1.6274 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9279 -0.4127 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7314 2.7043 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8935 1.7131 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 M END > DB07155 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BVUSHGJZBZMDML-ZDUSSCGKSA-N/SDF?record_type=3d > [H][C@]1(CN(C2CCCCC2)C(=O)C1)C(=O)NC1=CC=CC=C1 > InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1 > BVUSHGJZBZMDML-ZDUSSCGKSA-N > C17H22N2O2 > 286.3688 > 286.168127958 > 2 > 43 > -1.0274547152026902e-07 > 31.61228238855209 > 1 > 1 > 0 > 1 > (3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide > 2.95 > 2.25629117 > -2.97 > 0 > 0 > 3 > 0 > 13.95760123009887 > -1.1242796033833333 > 49.410000000000004 > 82.532 > 3 > 1 > 3.10e-01 g/l > tetrahydrofolic acid > 0 $$$$