127894 -OEChem-12161818233D 41 43 0 1 0 0 0 0 0999 V2000 4.6943 2.5846 0.3119 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 0.9520 -0.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7387 -0.5908 -1.0425 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8804 0.1227 -1.2856 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1813 0.8382 0.8416 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9480 0.9167 -1.1224 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1652 1.3640 0.1222 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7637 -0.4767 1.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9844 -1.7410 0.2938 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5051 0.3017 0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 -0.5924 0.7216 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7147 -2.6016 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5301 -1.8169 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 0.4113 1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5086 -1.3867 -1.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 0.6602 -0.3193 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9699 0.1978 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -0.6449 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 1.3816 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 0.1204 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6141 -0.7918 2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7595 -2.3476 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 0.7439 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 1.1389 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 -0.9411 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 -3.0412 1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 -3.4419 -0.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4529 -1.5117 -1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 -2.5098 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8134 -0.0766 1.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 1.3613 1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7287 -2.3086 -1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7584 -0.8488 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8039 1.2811 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 0.5493 -0.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0771 1.0962 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4501 -1.1362 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3749 -0.9900 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 -1.5378 -0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5447 3.0729 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5564 1.1643 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 40 1 0 0 0 0 2 19 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 37 1 0 0 0 0 4 6 1 0 0 0 0 4 20 2 0 0 0 0 5 7 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END > DB06354 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZXFRFPSZAKNPQQ-YTWAJWBKSA-N/SDF?record_type=3d > [H][C@]1(CCC2=NN=NN2)CC[C@@]2([H])CN[C@@]([H])(C[C@@]2([H])C1)C(O)=O > InChI=1S/C13H21N5O2/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18)/t8-,9+,10-,11+/m1/s1 > ZXFRFPSZAKNPQQ-YTWAJWBKSA-N > C13H21N5O2 > 279.344 > 279.169524936 > 6 > 41 > 29.04679861501357 > 1 > 3 > 0 > 0 > (3S,4aR,6R,8aR)-6-[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]-decahydroisoquinoline-3-carboxylic acid > 1.00 > -1.636142939000107 > -3.10 > 0 > 3 > -1 > 5.074637323305288 > 1.716785918392704 > 10.54867474980618 > 103.79 > 74.6169 > 4 > 1 > 2.24e-01 g/l > tezampanel > 0 $$$$