5788723 -OEChem-10112211573D 63 66 0 0 0 0 0 0 0999 V2000 -2.8556 -0.3852 1.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1546 0.3810 1.5733 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3693 1.1881 0.4169 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 -0.4210 1.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1882 1.7986 1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0263 -0.2294 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1544 1.9913 0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0745 0.1984 2.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 1.3699 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 0.4934 2.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 0.9739 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 -0.1594 0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 1.0384 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 -1.4047 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3701 0.0095 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3774 1.8271 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 -1.6217 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 1.3532 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9734 -2.3332 -0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7493 -0.4029 -0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4167 2.9305 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7253 -2.7670 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 2.4566 -1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -3.4784 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 3.2452 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9068 -3.6952 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 -0.1034 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -1.0930 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 -0.4936 0.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8078 -1.4834 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3625 -1.1836 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 -0.1569 2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 -1.4853 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7092 2.3916 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 2.2040 2.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5738 -0.6358 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9253 -0.8209 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 3.0552 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 1.7284 -0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -0.8521 3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 0.8015 3.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 0.8484 -1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3401 2.4340 -0.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1638 0.3080 3.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 1.5418 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 1.5459 0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 0.0674 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 -0.5187 -1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2478 1.5978 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8188 -0.9102 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 0.7482 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9003 -2.1813 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3106 3.5452 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7965 -2.9363 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2961 2.7002 -2.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -4.2004 -1.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 4.1042 -2.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3408 -4.5867 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7496 0.4131 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0857 -1.3341 -2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0414 -0.2648 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3936 -2.0207 -2.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3794 -1.4886 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 7 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 10 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 2 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 47 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 48 1 0 0 0 0 16 21 1 0 0 0 0 16 49 1 0 0 0 0 17 22 1 0 0 0 0 17 50 1 0 0 0 0 18 23 2 0 0 0 0 18 51 1 0 0 0 0 19 24 2 0 0 0 0 19 52 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 21 25 2 0 0 0 0 21 53 1 0 0 0 0 22 26 2 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 23 55 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 28 30 2 0 0 0 0 28 60 1 0 0 0 0 29 31 2 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 M END > DB17027 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XFBDGHFDKJITGC-JLHYYAGUSA-N/SDF?record_type=3d > [H]\C(CN1CCN(CCOC(C2=CC=CC=C2)C2=CC=CC=C2)CC1)=C(\[H])C1=CC=CC=C1 > InChI=1S/C28H32N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-17,28H,18-24H2/b13-10+ > XFBDGHFDKJITGC-JLHYYAGUSA-N > C28H32N2O > 412.577 > 412.251463658 > 3 > 63 > 0.809766846545383 > 48.59752206439129 > 1 > 0 > 0 > 0 > 1-[2-(diphenylmethoxy)ethyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine > 5.34 > 5.833415631666668 > -5.63 > 1 > 1 > 4 > 1 > 7.6290532929150086 > 15.71 > 130.90829999999997 > 9 > 0 > 9.65e-04 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 > 1 $$$$