5584 -OEChem-10051719213D 48 50 0 1 0 0 0 0 0999 V2000 -0.3943 -0.0093 -0.7681 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 2.2073 0.9022 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 1.3621 -1.0680 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2934 0.9626 -1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.2326 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 0.3566 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 1.9459 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 -1.7935 1.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3578 -0.3291 1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 -2.0774 0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 0.2188 0.8638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 2.3429 -2.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 -1.6877 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 0.8852 -1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 -3.3160 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 0.6022 1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 -2.9031 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8998 1.2617 -1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -3.7234 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3798 1.1209 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7036 0.9679 0.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 2.8381 2.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 0.4791 -1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 1.9011 -1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3691 0.5852 -2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 1.2665 1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0252 2.8791 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -2.3451 1.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 -2.2077 2.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4519 0.2697 2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8881 -0.2574 2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 1.9399 -3.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 2.5331 -1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 3.3029 -2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -1.1398 -2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 0.9881 -2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3956 -3.9756 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 0.4968 2.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7168 -3.2102 -1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5426 1.6596 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 -4.6754 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 1.4116 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 0.6201 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 0.1629 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6281 1.1361 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2762 3.7814 2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 3.0873 2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 2.1931 2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 13 2 0 0 0 0 6 11 1 0 0 0 0 6 14 2 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 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 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 M END > DB00726 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZSCDBOWYZJWBIY-UHFFFAOYSA-N/SDF?record_type=3d > CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC=CC=C12 > InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3 > ZSCDBOWYZJWBIY-UHFFFAOYSA-N > C20H26N2 > 294.4338 > 294.209598842 > 2 > 48 > 0.9962246347802459 > 35.671602589170114 > 1 > 0 > 0 > 1 > (3-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}-2-methylpropyl)dimethylamine > 4.67 > 4.7578923536666675 > -4.05 > 0 > 1 > 3 > 1 > 9.421368596207449 > 6.48 > 95.02200000000002 > 4 > 1 > 2.60e-02 g/l > tetrahydrofolic acid > 1 $$$$