4369443 -OEChem-10051721193D 49 52 0 1 0 0 0 0 0999 V2000 5.6828 2.4823 0.7632 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -3.3914 0.6162 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -2.6654 0.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 -3.0819 1.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 2.4205 -1.3279 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1596 0.9650 -0.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0636 -2.6266 -0.3726 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.6599 0.5116 -0.9606 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7311 1.5693 -3.1247 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6341 -1.4627 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -1.4325 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 -0.4094 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1748 -0.4188 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4236 -2.9721 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 -2.7054 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6175 0.6008 1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 -0.4427 -0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -0.4143 -2.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6039 1.5776 1.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8817 0.5341 -0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6312 -2.9907 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7360 1.5443 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0674 1.4603 -1.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 0.6115 -3.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4807 -2.6415 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 2.3214 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3914 1.5920 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 2.9605 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 1.4994 1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8351 2.8678 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9603 2.1371 2.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4818 -4.0467 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 -2.4389 -1.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 0.6411 1.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 -1.2237 -1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2607 -1.1631 -3.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 2.3645 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7632 0.5085 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 -2.4215 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 -4.0612 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3778 0.6941 -4.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5335 -2.8725 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -3.1976 2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -1.5787 1.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 3.5309 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6139 0.9364 2.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 3.3641 3.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 2.0654 3.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8878 0.5014 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 15 2 0 0 0 0 5 23 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 49 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 13 2 0 0 0 0 8 23 1 0 0 0 0 9 23 2 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 24 2 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 29 31 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M END > DB08395 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZSOXFJURLPCSOO-UHFFFAOYSA-N/SDF?record_type=3d > CCOCN1OC(=O)C(=C1C1=CC=NC(OC2=CC=CC=C2O)=N1)C1=CC=C(F)C=C1 > InChI=1S/C22H18FN3O5/c1-2-29-13-26-20(19(21(28)31-26)14-7-9-15(23)10-8-14)16-11-12-24-22(25-16)30-18-6-4-3-5-17(18)27/h3-12,27H,2,13H2,1H3 > ZSOXFJURLPCSOO-UHFFFAOYSA-N > C22H18FN3O5 > 423.3938 > 423.123048906 > 6 > 49 > -0.0576119401895693 > 40.39036598730438 > 1 > 1 > 0 > 1 > 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]-2,5-dihydro-1,2-oxazol-5-one > 3.98 > 3.7309007320000003 > -3.85 > 1 > 0 > 4 > 0 > 8.21371623036527 > 0.11801728308569713 > 94.01000000000002 > 109.3868 > 7 > 1 > 5.99e-02 g/l > tetrahydrofolic acid > 0 $$$$