4891 -OEChem-10051719283D 47 50 0 1 0 0 0 0 0999 V2000 -3.1090 2.1335 0.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 3.9240 -0.1306 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7936 1.6527 0.0495 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9548 1.2517 0.4042 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3741 0.3889 0.6720 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8773 -0.1470 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0667 0.0951 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2112 -0.9955 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1038 0.0516 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 1.1844 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8525 -2.3247 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7433 -1.2800 -1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2804 -0.7930 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 1.7662 -0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 2.5157 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0762 -2.1204 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 0.5747 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 2.7770 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2918 -0.7084 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1123 -1.9964 1.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0844 -1.8286 -0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 -3.1019 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8982 -3.0196 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 0.5714 1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 -0.6825 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 -0.1687 -0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4626 -0.7551 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3292 -1.1897 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 -0.4430 1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 0.6627 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8238 0.5997 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1422 -2.8729 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1163 -2.9438 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0589 -1.8390 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6552 -1.0973 -2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 1.8273 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2589 2.6967 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 2.4706 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 3.3482 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4704 -3.0934 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8674 -1.6259 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5369 0.6648 -1.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8566 0.5595 -2.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 -2.0808 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -1.7765 -1.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7733 -4.0283 1.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 -3.8820 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 18 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 44 1 0 0 0 0 21 23 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 M END > DB01058 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FSVJFNAIGNNGKK-UHFFFAOYSA-N/SDF?record_type=3d > O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1 > InChI=1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2 > FSVJFNAIGNNGKK-UHFFFAOYSA-N > C19H24N2O2 > 312.4061 > 312.183778022 > 2 > 47 > 2.5202370280009397e-08 > 34.83989139677523 > 1 > 0 > 0 > 1 > 2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one > 2.42 > 2.3015625973333336 > -2.91 > 0 > 0 > 4 > 0 > 19.37823322062147 > -0.5985206178407123 > 40.620000000000005 > 88.7851 > 1 > 1 > 3.81e-01 g/l > tetrahydrofolic acid > 0 $$$$