101124818 -OEChem-10261720043D 62 64 0 1 0 0 0 0 0999 V2000 -8.0591 -1.7403 0.2304 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2716 -2.8531 0.5054 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0355 -1.9995 0.9463 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 1.9490 0.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2720 -1.6698 -2.1016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 1.5033 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8745 0.7184 2.5185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3211 1.1210 -0.5901 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.9030 -0.5984 -0.5674 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7312 0.9403 1.6330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6443 -0.9923 -1.1638 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4600 -1.1448 -0.1100 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2012 0.0253 -2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8835 0.2071 0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 1.3430 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 2.3929 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7619 3.0712 -0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 -0.9779 -1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 2.1941 -1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0694 -3.3645 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -0.4696 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2897 0.7480 0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4945 -1.2285 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 0.7522 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4258 1.2071 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 -0.7692 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5963 0.4486 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4076 0.1384 1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 0.1481 -0.9701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2134 2.7333 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 -1.0796 1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5089 -1.0698 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6281 -1.6837 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8095 -1.9499 -1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3503 -1.5805 -0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0145 0.2290 -2.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6279 -0.3973 -2.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0736 0.6443 1.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7083 0.0253 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6173 1.9867 -2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 1.8508 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 3.0625 0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 2.2325 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8726 -0.0129 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 3.3450 -1.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 4.0058 -0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 2.7283 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6633 1.2740 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 -3.9711 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -3.6506 0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 -3.5816 -0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5232 -2.1815 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4596 2.1449 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7986 0.6058 -1.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6889 1.8247 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5875 0.4021 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3936 2.5695 2.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 3.4297 0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 3.2000 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1779 -1.5691 2.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9442 -1.5373 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 0.1511 3.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 19 1 0 0 0 0 4 24 1 0 0 0 0 5 18 2 0 0 0 0 6 22 1 0 0 0 0 6 30 1 0 0 0 0 7 28 1 0 0 0 0 7 62 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 44 1 0 0 0 0 10 27 1 0 0 0 0 10 55 1 0 0 0 0 10 56 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 25 2 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 29 54 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 M END > DBMET01634 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FNNZAZYOQRBQAC-PGRDOPGGSA-N/SDF?record_type=3d > [H]N([H])C1=C(Cl)C([H])=C(C(=O)N([H])[C@@]2([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])([H])OC3=C(O)C([H])=C(F)C([H])=C3[H])C([H])([H])[C@@]2([H])OC([H])([H])[H])C(OC([H])([H])[H])=C1[H] > InChI=1S/C23H29ClFN3O5/c1-31-21-12-17(26)16(24)11-15(21)23(30)27-18-6-8-28(13-22(18)32-2)7-3-9-33-20-5-4-14(25)10-19(20)29/h4-5,10-12,18,22,29H,3,6-9,13,26H2,1-2H3,(H,27,30)/t18-,22+/m0/s1 > FNNZAZYOQRBQAC-PGRDOPGGSA-N > C23H29ClFN3O5 > 481.95 > 481.1779769 > 7 > 62 > 48.894347062602975 > 1 > 3 > 0 > 0 > 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluoro-2-hydroxyphenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide > 2.59 > 1.8004294784740804 > -4.24 > 1 > 3 > 1 > 14.575678616810155 > 9.028898453617002 > 8.070662291352734 > 106.28000000000002 > 124.9158 > 9 > 1 > 2.78e-02 g/l > 4-amino-5-chloro-N-[(3R,4S)-1-[3-(4-fluoro-2-hydroxyphenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide > 0 $$$$