9287 -OEChem-10051719353D 27 28 0 1 0 0 0 0 0999 V2000 -0.8989 2.0277 0.0455 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9803 -1.2610 0.1054 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8713 -0.2046 0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 0.4588 0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 -0.5792 -0.3451 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6433 -0.1796 0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5666 0.8271 -0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4108 1.8153 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 0.6447 -1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0728 -1.5213 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9035 0.5580 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -1.8055 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3068 -0.7802 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4398 0.4468 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6558 -1.1126 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2089 -1.2638 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 2.6496 0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 2.9343 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 0.3659 -1.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.3995 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3096 1.1092 -1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 -2.3328 0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6046 1.3554 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5240 -1.5630 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7284 -2.1073 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7442 -2.8386 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3386 -1.0236 -0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 5 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 17 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > DB01446 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QSQQQURBVYWZKJ-UHFFFAOYSA-N/SDF?record_type=3d > CC(N)CC1=CNC2=CC=CC=C12 > InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3 > QSQQQURBVYWZKJ-UHFFFAOYSA-N > C11H14N2 > 174.2423 > 174.115698458 > 1 > 27 > 0.998901659512673 > 20.189095967636227 > 1 > 2 > 0 > 1 > 1-(1H-indol-3-yl)propan-2-amine > 2.00 > 1.9030124746666663 > -2.18 > 0 > 1 > 2 > 1 > 17.13788304467716 > 9.958785741724336 > 41.81 > 54.79170000000002 > 2 > 1 > 1.15e+00 g/l > tetrahydrofolic acid > 0 $$$$