205131 -OEChem-10051720373D 30 31 0 0 0 0 0 0 0999 V2000 0.6799 -2.6288 0.7990 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -0.4132 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 0.3534 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 0.0926 1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 1.7547 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 1.5793 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 -1.9330 -0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 -0.0922 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2752 -0.3716 -1.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9608 0.4781 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -0.0799 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 0.7698 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1605 0.4909 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1492 0.3894 -2.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -0.1060 -1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9156 -0.4020 0.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5393 -0.0921 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1313 2.4074 -0.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 2.2145 -1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1575 1.8886 1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 2.2011 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3004 -2.1899 -0.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 -2.2974 -1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8906 -0.8165 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3615 0.7112 1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 -2.4777 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 -2.3064 1.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2895 -0.2973 -1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 1.2128 2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2207 0.7177 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 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 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 13 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 M END > DB04577 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SJWOFBVBNFLWLP-UHFFFAOYSA-N/SDF?record_type=3d > NCC1(CCCC1)C1=CC=CC=C1 > InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2 > SJWOFBVBNFLWLP-UHFFFAOYSA-N > C12H17N > 175.2701 > 175.136099549 > 1 > 30 > 0.9966587770696839 > 21.01162349248377 > 1 > 1 > 0 > 1 > 1-(1-phenylcyclopentyl)methanamine > 2.88 > 2.556060560666667 > -3.47 > 0 > 1 > 2 > 1 > 9.474641042480666 > 26.02 > 55.555900000000015 > 2 > 1 > 6.00e-02 g/l > biotin > 1 $$$$