60768 -OEChem-09152210353D 61 65 0 1 0 0 0 0 0999 V2000 5.5062 -0.5518 1.2978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 -0.6576 1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0784 1.3445 0.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 1.6153 -0.2954 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2276 -1.0120 -0.6604 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4017 -0.7689 0.3913 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2487 0.3765 -0.4086 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5714 0.5290 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -0.8084 0.1266 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5458 -1.9156 0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -2.0990 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 -1.1083 -0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3547 -0.3687 -0.9026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2298 2.7677 -0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 1.9557 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7303 -0.5187 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 3.9490 -0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 3.4162 1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4463 -1.3225 -2.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0614 -0.9177 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2144 -1.1595 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5701 -1.0781 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2838 0.1210 -0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1149 -2.2464 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5265 0.0984 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 1.4669 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3669 -2.2274 0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1065 -1.0456 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1943 2.1657 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4869 0.2284 -1.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2217 1.2969 -0.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 0.8039 1.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 -0.6237 1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1187 -2.8514 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -1.7216 1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -2.9002 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 -2.4571 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2460 -2.1840 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4387 -0.8326 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1127 -0.7715 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 0.6884 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 2.8842 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 2.7831 -1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3544 1.3723 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0058 1.9160 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 0.3012 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2546 -1.4636 0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 4.7963 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 4.2921 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 3.5063 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0644 3.9788 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0348 -0.5510 -2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 -2.2881 -2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -1.3769 -2.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1634 -0.4172 -1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 -2.1464 -1.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 -3.1869 0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2239 1.8796 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7741 -3.1485 1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0778 -1.0230 1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4952 3.1999 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 16 1 0 0 0 0 2 20 2 0 0 0 0 3 25 1 0 0 0 0 3 29 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 17 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 27 2 0 0 0 0 24 57 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 M END > DB16967 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JMBYBVLCYODBJQ-HFMPRLQTSA-N/SDF?record_type=3d > CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1)C(=O)CC1=CC=CC2=C1C=CO2 > InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1 > JMBYBVLCYODBJQ-HFMPRLQTSA-N > C24H32N2O3 > 396.531 > 396.241292898 > 3 > 61 > 0.9981841738462386 > 43.264327904887764 > 1 > 0 > 0 > 1 > 2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-yl]acetamide > 3.43 > 2.762618100333333 > -4.13 > 0 > 1 > 5 > 1 > 9.740135423228754 > 45.92 > 113.27350000000001 > 4 > 1 > 2.91e-02 g/l > 6-cyclopropaneamido-N-[hydroxy(2H2)methyl]-4-{[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]amino}pyridazine-3-carboxamide > 0 $$$$