25113616 -OEChem-10051720533D 47 48 0 1 0 0 0 0 0999 V2000 0.9762 -0.2309 -1.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 -1.3868 0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 0.7320 0.3083 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -1.1429 0.9073 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7988 0.8498 0.6821 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3157 1.0340 -1.5969 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8468 0.4846 1.0590 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2736 1.8703 1.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 2.6995 0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 2.1251 -0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 -0.3269 0.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0721 -0.2183 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3427 0.2598 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3564 -0.8687 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 -2.0084 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2072 -1.3185 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6857 -0.4290 -1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0418 -1.1116 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6005 -0.8855 -1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2698 -0.4719 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 -0.2457 -1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6632 -0.0388 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9435 0.6286 -0.3958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -0.0601 1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 2.2718 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 1.8877 1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1171 2.5435 -0.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 3.7716 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 2.1911 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 2.6238 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7537 1.0902 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 0.6197 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 -1.1215 1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9546 -1.6925 -1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5463 -1.2755 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0061 -2.8845 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 -2.3693 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1419 0.3631 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 -0.0520 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3825 -1.2721 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7452 -1.4451 2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9592 -1.0388 -2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8793 -0.3367 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 0.0794 -2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5922 0.5720 1.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6890 1.3160 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2386 1.4752 -1.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 33 1 0 0 0 0 5 23 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 23 2 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 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 18 2 0 0 0 0 16 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 M END > DB06929 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RYAZZWWVNUWKNB-AWEZNQCLSA-N/SDF?record_type=3d > [H][C@]1(CCCN1C(=O)CCC)C(=O)NCC1=CC=C(C=C1)C(N)=N > InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1 > RYAZZWWVNUWKNB-AWEZNQCLSA-N > C17H24N4O2 > 316.3981 > 316.189926032 > 4 > 47 > 0.9999671363447508 > 35.141335368167326 > 1 > 3 > 0 > 1 > (2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide > 0.65 > 0.7195804216666675 > -3.22 > 0 > 1 > 2 > 1 > 14.424103824060955 > 11.483700258896 > 99.28 > 99.86209999999998 > 6 > 1 > 1.91e-01 g/l > biotin > 0 $$$$