213040 -OEChem-06141818303D 67 71 0 1 0 0 0 0 0999 V2000 4.2081 4.2224 0.2927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6057 1.5763 -1.5304 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6403 1.5114 -0.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.1541 -0.1993 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 1.1593 -0.7401 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9382 -3.1050 1.2358 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 2.9956 -0.8897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 1.2556 0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 2.1338 -1.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5155 0.3616 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1628 2.9827 0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 3.4558 -0.4646 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8421 0.9673 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 -0.0520 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 2.3095 -1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 0.3422 0.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 -1.4642 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9102 1.1136 1.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2175 -2.5465 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -0.0658 -0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4294 -1.6811 -1.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 0.1782 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1763 1.4768 2.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -3.8455 -0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1860 0.2975 0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3770 -2.9802 -2.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3141 1.0688 1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 -4.0623 -1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7841 -0.7872 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9273 -0.2039 -1.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9326 -2.1546 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0741 -1.5491 -2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 -0.4303 1.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0757 -2.5086 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6456 -1.4074 2.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7964 -2.7188 2.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 3.6415 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6707 3.6464 -1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 1.8328 1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2441 0.6078 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3510 1.5698 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5957 2.7745 -2.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 -0.3009 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.2915 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7027 3.8417 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6452 2.4161 1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 4.1242 -1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -0.0396 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 1.7449 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7955 2.7192 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 4.5424 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0332 1.4427 2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -2.3917 1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8621 -0.6500 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5459 -0.8665 -2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2760 2.0785 3.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -4.6882 0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0723 -0.0161 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4423 -3.1498 -3.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2997 1.3528 1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2050 -5.0738 -1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9698 0.5077 -2.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1963 -1.8563 -3.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 0.6081 2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1941 -3.5556 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5349 -1.1494 3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8079 -3.5255 3.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 51 1 0 0 0 0 2 13 2 0 0 0 0 3 15 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 6 31 1 0 0 0 0 6 36 2 0 0 0 0 7 9 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 15 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 18 52 1 0 0 0 0 19 24 1 0 0 0 0 19 53 1 0 0 0 0 20 25 2 0 0 0 0 20 54 1 0 0 0 0 21 26 2 0 0 0 0 21 55 1 0 0 0 0 22 29 1 0 0 0 0 22 30 2 0 0 0 0 23 27 2 0 0 0 0 23 56 1 0 0 0 0 24 28 2 0 0 0 0 24 57 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 29 31 2 0 0 0 0 29 33 1 0 0 0 0 30 32 1 0 0 0 0 30 62 1 0 0 0 0 31 34 1 0 0 0 0 32 34 2 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 M END > DB14067 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KLWUUPVJTLHYIM-UHFFFAOYSA-N/SDF?record_type=3d > OC(COC1=CC=CC2=C1C=CC=N2)CN1CCN(CC1)C(=O)C(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C30H31N3O3/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-16,25,29,34H,17-22H2 > KLWUUPVJTLHYIM-UHFFFAOYSA-N > C30H31N3O3 > 481.596 > 481.23654187 > 5 > 67 > 52.77373354210648 > 1 > 1 > 0 > 0 > 1-{4-[2-hydroxy-3-(quinolin-5-yloxy)propyl]piperazin-1-yl}-2,2-diphenylethan-1-one > 3.87 > 3.946682773333335 > -4.38 > 1 > 5 > 1 > 14.078875566696105 > 6.727229646478575 > 65.9 > 140.1368 > 8 > 1 > 1.99e-02 g/l > dofequidar > 0 $$$$