449095 -OEChem-01012016053D 37 38 0 1 0 0 0 0 0999 V2000 -0.9861 -2.3867 -0.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3299 2.6998 0.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6230 -0.7562 0.0531 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7476 1.1021 0.0048 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7803 0.1703 0.3019 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 -0.1997 1.8557 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.2138 -0.3425 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 0.5712 -0.3353 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4493 0.6928 0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6983 -1.5614 0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9540 -0.7487 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 -0.1100 -0.7492 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3415 -1.2149 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 1.5652 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0332 -0.4689 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 0.6271 -1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 0.2981 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0294 -0.0662 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1431 0.6125 -1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1136 1.3694 -0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3683 1.0592 1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5179 -1.6634 1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7144 -2.5564 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7449 -0.9245 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 -1.0010 -0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 0.0651 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0011 1.7325 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 -0.6364 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 -1.4128 -1.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 0.7687 -2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 1.5861 -0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6145 -0.6356 -1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 1.1060 -1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8131 -0.1161 2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 -0.3837 2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0081 -0.3979 -0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9212 -0.1478 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 17 1 0 0 0 0 5 18 2 0 0 0 0 6 18 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 18 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 M END > DB04433 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZRJHYOXNWCMGMW-YUMQZZPRSA-N/SDF?record_type=3d > [H][C@@]12CCCN1C(=O)[C@H](CCCNC(N)=N)NC2=O > InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1 > ZRJHYOXNWCMGMW-YUMQZZPRSA-N > C11H19N5O2 > 253.3009 > 253.153874877 > 5 > 37 > 0.9999396592555184 > 26.68446130424735 > 1 > 4 > 0 > 0 > N-{3-[(3S,8aS)-1,4-dioxo-octahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}guanidine > -2.17 > -2.140307920858981 > -2.20 > 0 > 1 > 2 > 1 > 11.271356554777084 > 12.166326854994079 > 111.31 > 75.7097 > 4 > 1 > 1.60e+00 g/l > 2-amino-3H,5H-pyrrolo[3,2-d]pyrimidin-4-one > 0 $$$$