53354764 -OEChem-10051722513D 63 67 0 1 0 0 0 0 0999 V2000 4.8070 -0.8016 1.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7236 2.3583 0.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7592 -1.6283 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1523 1.6256 0.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1874 3.5222 -0.2148 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 -1.8908 0.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7306 -1.6024 -0.4522 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9392 -2.4380 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -0.3621 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 -3.0155 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 -1.5116 -0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -2.2538 -1.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 -2.3163 0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 -2.3734 0.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -2.3081 -1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1526 0.0306 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 0.8590 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.9789 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6438 1.2816 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 2.0637 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1054 -1.3939 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 2.4897 -0.8790 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7809 -0.1651 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7108 1.8894 -1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 3.7714 -0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 2.2807 -0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4469 1.1964 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1106 -0.5348 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4844 2.1281 0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1648 0.3619 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8173 1.7161 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4808 -4.0672 -0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -2.4653 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -1.2982 -1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -3.2689 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -1.6889 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.8142 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -3.3365 0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2229 -2.8308 -2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2316 -1.2850 -1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 -1.3535 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -2.9442 1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8624 -0.7859 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1363 0.2388 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 1.1237 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 0.6671 0.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8076 -3.4457 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 -3.5404 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 1.5963 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7949 1.0963 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 1.9008 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 2.9445 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 -1.5525 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7163 2.6867 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 2.3693 -2.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.8085 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6237 4.0880 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3321 4.5868 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4019 2.3991 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 1.5408 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2617 3.1917 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1940 0.0335 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5992 2.4628 0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 53 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 4 27 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 21 2 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 23 27 1 0 0 0 0 23 28 2 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 M END > DB12675 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WLLOFQROROXOMO-GOSISDBHSA-N/SDF?record_type=3d > OC1(CN2CCC(COC3=NOC4=CC=CC(O[C@@H]5CCOC5)=C34)CC2)CCOCC1 > InChI=1S/C23H32N2O6/c26-23(7-12-27-13-8-23)16-25-9-4-17(5-10-25)14-29-22-21-19(30-18-6-11-28-15-18)2-1-3-20(21)31-24-22/h1-3,17-18,26H,4-16H2/t18-/m1/s1 > WLLOFQROROXOMO-GOSISDBHSA-N > C23H32N2O6 > 432.517 > 432.226036758 > 7 > 63 > 46.20415336367222 > 1 > 1 > 0 > 1 > 4-({4-[({4-[(3R)-oxolan-3-yloxy]-1,2-benzoxazol-3-yl}oxy)methyl]piperidin-1-yl}methyl)oxan-4-ol > 2.04 > 1.2192701256666671 > -3.32 > 1 > 5 > 1 > 14.263027331578641 > 9.58840476684052 > 86.42 > 115.60419999999996 > 7 > 1 > 2.05e-01 g/l > 4-({4-[({4-[(3R)-oxolan-3-yloxy]-1,2-benzoxazol-3-yl}oxy)methyl]piperidin-1-yl}methyl)oxan-4-ol > 0 $$$$