23640750 -OEChem-10051721213D 37 38 0 0 0 0 0 0 0999 V2000 -5.8384 1.2012 -0.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1915 1.4182 0.2331 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0203 0.2693 0.2347 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 0.0568 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8073 -0.5175 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7297 0.5460 -0.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5263 -0.7025 0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8073 -0.0933 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1271 0.4200 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0864 1.7235 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 -1.9180 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7387 0.2559 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4341 -2.0896 0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 -2.6902 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0236 0.9218 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 1.5701 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2695 -0.3716 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.8094 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 -0.7790 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1893 -0.4647 -1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 1.2692 -1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 2.0966 0.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 2.7522 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 -0.6472 -0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 0.9203 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 -2.4034 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2921 -2.7209 0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 -3.7708 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5788 0.2630 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8084 1.8627 0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 2.0088 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 2.2863 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9913 1.4601 1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0782 -1.3726 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9319 -0.5066 0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 0.2106 -0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6489 1.6246 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 37 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 23 1 0 0 0 0 11 14 1 0 0 0 0 11 26 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 M END > DB08447 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KKQDXWHOFSMCSA-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CC1=CNC2=C1C=CC=C2CCCO > InChI=1S/C14H20N2O/c1-16(2)10-12-9-15-14-11(6-4-8-17)5-3-7-13(12)14/h3,5,7,9,15,17H,4,6,8,10H2,1-2H3 > KKQDXWHOFSMCSA-UHFFFAOYSA-N > C14H20N2O > 232.3214 > 232.157563272 > 2 > 37 > 0.9910854595266505 > 27.525504534068098 > 1 > 2 > 0 > 1 > 3-{3-[(dimethylamino)methyl]-1H-indol-7-yl}propan-1-ol > 2.07 > 1.979284678666667 > -2.42 > 0 > 1 > 2 > 1 > 16.43908103439086 > 15.778709026239214 > 9.046012142181606 > 39.260000000000005 > 71.8591 > 5 > 1 > 8.79e-01 g/l > tetrahydrofolic acid > 1 $$$$