19861 -OEChem-10051719213D 44 47 0 0 0 0 0 0 0999 V2000 -3.9113 -0.9043 0.2485 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 2.1755 -1.4507 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2017 -0.3268 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2832 0.7085 -0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7081 -1.7432 -0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3934 0.4725 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -1.8853 0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 -0.0139 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 -1.0958 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 1.4284 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 -1.0405 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4817 0.0937 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 1.0813 1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0145 1.9576 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0023 -1.0913 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 -2.2071 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1135 -2.1040 0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 3.3295 0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 -3.2490 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 -3.1987 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9377 4.1162 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 3.4967 -1.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9964 1.7496 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7015 0.6335 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -2.0195 -1.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 -2.5085 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0173 0.6935 1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 1.1802 0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 -2.9006 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4385 -1.7756 1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 -0.3576 2.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3452 0.6452 1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 1.7079 2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4742 0.5598 2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -0.9400 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 -2.1002 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8210 -0.3939 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2855 -2.2491 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 -2.0769 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 3.7932 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 -4.0823 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7267 -3.9994 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1374 5.1816 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 4.0651 -2.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 22 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 21 2 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END > DB00719 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SEBMTIQKRHYNIT-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCC(CC1)=C1C2=CC=CC=C2CCC2=C1N=CC=C2 > InChI=1S/C20H22N2/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19/h2-7,12H,8-11,13-14H2,1H3 > SEBMTIQKRHYNIT-UHFFFAOYSA-N > C20H22N2 > 290.4021 > 290.178298714 > 2 > 44 > 0.8926819354953466 > 34.016497089394804 > 1 > 0 > 0 > 1 > 2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene > 3.67 > 3.747541202333333 > -3.41 > 0 > 1 > 4 > 1 > 7.914622392996205 > 16.130000000000003 > 101.52870000000001 > 0 > 1 > 1.13e-01 g/l > tetrahydrofolic acid > 1 $$$$