24752844 -OEChem-10051720543D 46 49 0 1 0 0 0 0 0999 V2000 2.3148 1.6359 0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 -2.5666 -1.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4007 -1.0805 0.3078 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 0.5118 -0.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7855 1.1395 2.8576 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1725 0.1212 -0.5852 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 -1.5698 0.1935 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -0.4991 1.0956 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5099 -0.0941 2.1400 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7965 -1.5032 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -0.0536 1.3333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0359 0.6532 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2031 -0.6214 -0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9004 1.5321 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 -0.3864 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3648 1.1328 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -1.6661 -0.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 -1.1816 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9734 -2.0152 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4271 0.5861 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4716 -0.2702 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 1.9268 -0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 0.2459 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0007 2.4333 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0302 1.5892 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4077 -0.9676 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 -0.9079 2.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 -1.5421 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8546 -2.5133 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 -0.2775 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0461 0.9044 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -1.5721 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5945 -0.5852 0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7531 2.5291 -0.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4054 1.4874 -2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0209 -0.8097 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2609 -0.8320 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9226 1.5388 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 1.4852 -2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 1.3151 3.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6511 1.0431 3.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 -3.0665 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9102 2.6002 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5764 -0.4050 0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1983 3.4817 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0411 1.9710 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 17 2 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 18 2 0 0 0 0 6 20 1 0 0 0 0 7 19 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END > DB07015 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XDSKICAQKGYYJF-OLZOCXBDSA-N/SDF?record_type=3d > [H][C@]1(N)CN(C[C@@]1([H])C(=O)N1CCCC1)C(=O)C1=CN=C2C=CC=CC2=N1 > InChI=1S/C18H21N5O2/c19-13-11-23(10-12(13)17(24)22-7-3-4-8-22)18(25)16-9-20-14-5-1-2-6-15(14)21-16/h1-2,5-6,9,12-13H,3-4,7-8,10-11,19H2/t12-,13+/m1/s1 > XDSKICAQKGYYJF-OLZOCXBDSA-N > C18H21N5O2 > 339.3916 > 339.169524941 > 5 > 46 > 0.9547688792290225 > 36.19365553016566 > 1 > 1 > 0 > 1 > (3R,4R)-4-(pyrrolidine-1-carbonyl)-1-(quinoxaline-2-carbonyl)pyrrolidin-3-amine > -0.13 > -0.21230039800000106 > -2.43 > 0 > 1 > 4 > 1 > 8.324459052701366 > 92.42 > 91.5987 > 2 > 1 > 1.27e+00 g/l > biotin > 0 $$$$