21319 -OEChem-02062017453D 47 50 0 1 0 0 0 0 0999 V2000 2.3995 -1.2986 2.7486 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3227 0.8798 -1.6011 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7465 -1.4785 -2.3245 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7511 0.3290 2.7492 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3699 -1.0317 -0.0297 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1745 0.9172 1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 2.8665 -0.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9816 0.4941 -0.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5674 1.0796 0.6658 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 1.1921 0.7664 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3139 -0.7181 -0.2768 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6820 1.9239 -0.1417 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9986 0.0752 -1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2481 -0.0321 0.0335 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6759 1.8640 1.0158 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7179 0.9799 1.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0012 0.9638 -2.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 -1.3064 -2.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 0.0323 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6198 1.7621 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 0.9810 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0279 -0.3901 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 1.5101 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -1.4162 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 2.8694 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6737 -1.8980 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.9292 -1.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 -2.8924 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4455 -2.9237 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 -3.4053 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 2.9076 -0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 -0.9529 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 2.8222 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 1.9528 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 1.1105 -3.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9977 0.5088 -2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6295 -1.2413 -3.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2279 -1.9667 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 -1.7995 -2.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 0.3381 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 -1.0074 0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7234 2.8691 -0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3517 3.3139 -1.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 3.5103 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4108 -3.2779 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 -3.3239 -1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 -4.1786 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 27 1 0 0 0 0 4 16 2 0 0 0 0 5 19 1 0 0 0 0 5 41 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 10 40 1 0 0 0 0 11 22 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 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 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 M END > DB00301 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UIOFUWFRIANQPC-JKIFEVAISA-N/SDF?record_type=3d > [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(C)ON=C1C1=C(Cl)C=CC=C1F)C(O)=O > InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)/t13-,14+,17-/m1/s1 > UIOFUWFRIANQPC-JKIFEVAISA-N > C19H17ClFN3O5S > 453.872 > 453.056147271 > 5 > 47 > -0.9994415917645392 > 41.690961989530194 > 1 > 2 > 0 > 1 > (2S,5R,6R)-6-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-amido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > 2.69 > 2.444441594666667 > -3.92 > 0 > -1 > 4 > -1 > 13.638424587889926 > 3.747546333668006 > -0.9294601599604333 > 112.74 > 106.85350000000001 > 3 > 1 > 5.45e-02 g/l > cefazolin sodium > 0 $$$$