35375 -OEChem-10051722003D 44 45 0 0 0 0 0 0 0999 V2000 5.2691 -1.3081 0.2169 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 0.1036 1.5358 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 -2.0319 1.9063 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 1.6123 0.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1167 3.1416 -0.3527 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 1.0371 2.0727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6658 3.1582 -0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -0.8260 0.4181 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 -1.3193 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4843 -1.0219 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2118 -0.5697 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 -0.9643 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 -1.1596 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 -2.5737 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.2747 -1.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 -1.0747 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1268 0.7441 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9978 -1.4122 -1.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 2.9402 0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 -1.4698 -2.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 3.7485 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -3.0786 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 -2.3291 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -1.0984 0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7136 3.8595 -1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0596 3.1668 -1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 -0.2364 1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5457 -0.7677 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 -3.1918 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -1.3012 -2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 -0.5007 0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 2.8810 1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 3.4042 0.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 -1.5653 -1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -1.6608 -3.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 3.7614 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 4.7753 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5289 -4.0576 -1.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -2.7228 -0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 3.8953 -2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 4.8804 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7194 3.6890 -2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 2.1270 -1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 2.6950 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 17 1 0 0 0 0 4 19 1 0 0 0 0 5 21 1 0 0 0 0 5 25 1 0 0 0 0 6 17 2 0 0 0 0 7 26 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 14 22 1 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 23 1 0 0 0 0 16 31 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END > DB08984 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XILVEPYQJIOVNB-UHFFFAOYSA-N/SDF?record_type=3d > OCCOCCOC(=O)C1=CC=CC=C1NC1=CC=CC(=C1)C(F)(F)F > InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2 > XILVEPYQJIOVNB-UHFFFAOYSA-N > C18H18F3NO4 > 369.335 > 369.118792684 > 4 > 44 > -6.615995558047858e-09 > 35.57135970925744 > 1 > 2 > 0 > 1 > 2-(2-hydroxyethoxy)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}benzoate > 3.53 > 4.857419516666667 > -4.60 > 0 > 0 > 2 > 0 > 17.50975428929937 > 15.121154992658976 > -2.158221406195225 > 67.79 > 89.87900000000002 > 10 > 1 > 9.36e-03 g/l > tetrahydrofolic acid > 0 $$$$