657061 -OEChem-10051721193D 48 50 0 0 0 0 0 0 0999 V2000 -6.9594 2.1006 0.0031 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8931 -1.1070 0.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9754 -0.4649 -0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 0.0509 -2.0712 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 0.4581 2.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 4.1813 -0.0927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -2.1735 0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1505 2.1315 -1.1318 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0309 2.3358 1.0366 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 0.2179 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7177 0.2046 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3584 0.7617 -1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 0.9846 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6768 -0.5053 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 -1.3728 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4774 2.9705 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0585 -2.3331 -0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3106 -0.6780 0.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9325 -1.1150 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3096 -2.6030 -0.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6788 -0.9478 0.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 -1.9103 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2904 -1.0382 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3819 -1.0952 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1215 -0.0239 -0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4882 -1.1175 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9971 1.0619 -0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3638 -0.0317 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1183 1.0579 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0776 1.2224 -0.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7368 -0.3115 -1.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3816 -1.5505 0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7322 -0.0106 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 2.5534 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 2.9080 1.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -2.8758 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0397 0.0533 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9739 -0.6238 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6497 -2.1643 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6928 -3.3536 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3282 -0.4138 1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5837 0.0048 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2648 -1.5148 -1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 -1.5304 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2687 -0.0069 -1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6803 -1.9649 1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 1.9085 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2367 -0.0344 1.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 10 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 16 2 0 0 0 0 7 22 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 34 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 23 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 28 2 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 M END > DB08388 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XRSYNYGEEYTXJV-UHFFFAOYSA-N/SDF?record_type=3d > CCOCCC1(OC2=CC=C(OC3=CC=C(F)C=C3)C=C2)C(=O)NC(=O)NC1=O > InChI=1S/C20H19FN2O6/c1-2-27-12-11-20(17(24)22-19(26)23-18(20)25)29-16-9-7-15(8-10-16)28-14-5-3-13(21)4-6-14/h3-10H,2,11-12H2,1H3,(H2,22,23,24,25,26) > XRSYNYGEEYTXJV-UHFFFAOYSA-N > C20H19FN2O6 > 402.3731 > 402.122714555 > 5 > 48 > -0.7214103146232139 > 37.47624027892006 > 1 > 2 > 0 > 1 > 5-(2-ethoxyethyl)-5-[4-(4-fluorophenoxy)phenoxy]-1,3-diazinane-2,4,6-trione > 2.90 > 2.436689304333332 > -4.82 > 1 > -1 > 3 > -1 > 10.233358656823722 > 6.589301778057467 > -3.5273362925502956 > 102.96000000000001 > 98.65229999999997 > 8 > 1 > 6.10e-03 g/l > biotin > 0 $$$$