62977 -OEChem-08262118053D 46 48 0 1 0 0 0 0 0999 V2000 0.2748 -0.5351 1.3316 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 3.1313 -1.3485 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 2.4797 1.7543 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6854 1.7388 -0.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 0.7842 -2.3991 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0406 -4.2183 -0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 1.3333 0.1135 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 1.7444 0.0463 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9623 1.6561 0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8712 1.1694 1.2839 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0690 2.2072 0.6337 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0697 2.4000 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 0.5399 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9577 -1.2344 1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9599 -0.6457 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 1.9230 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 1.0181 -1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7201 1.3344 -0.1323 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1042 -1.5169 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 -0.1563 -0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 -2.6762 0.9113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4642 -0.6624 -1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 -0.9767 0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -3.5743 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 -2.0352 -1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 -2.3495 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 -2.8788 -0.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3483 1.5201 2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2095 3.1069 1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 1.2798 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7591 -2.2911 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 -1.1146 2.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7381 1.8495 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8676 -1.2067 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5555 -3.0586 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7585 1.3337 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 2.6685 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3221 2.0780 -1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5339 -0.0153 -2.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5062 -0.5799 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1365 -3.1781 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 -4.5561 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.7089 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 -2.4350 -2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2089 -3.0014 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 -4.4084 -1.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 12 2 0 0 0 0 3 16 2 0 0 0 0 4 17 1 0 0 0 0 4 38 1 0 0 0 0 5 17 2 0 0 0 0 6 27 1 0 0 0 0 6 46 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 30 1 0 0 0 0 9 18 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 19 21 2 3 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 22 25 1 0 0 0 0 22 39 1 0 0 0 0 23 26 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 M END > DB01150 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WDLWHQDACQUCJR-PBFPGSCMSA-N/SDF?record_type=3d > [H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O > InChI=1S/C18H19N3O5S/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26)/t12-,13-,17-/m1/s1 > WDLWHQDACQUCJR-PBFPGSCMSA-N > C18H19N3O5S > 389.426 > 389.104541423 > 6 > 46 > -0.3780946154430277 > 39.34702707999143 > 1 > 4 > 0 > 0 > (6R,7R)-7-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 0.94 > -1.918181571689192 > -3.42 > 0 > 0 > 3 > 0 > 9.478217464007528 > 3.29904517443279 > 7.2216305960296765 > 132.96 > 101.27310000000001 > 5 > 1 > 1.49e-01 g/l > cefprozilo > 0 $$$$