5284529 -OEChem-10051722103D 44 46 0 1 0 0 0 0 0999 V2000 -0.3163 -1.2046 -0.8508 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 2.8723 0.7152 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0983 -2.2318 0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 1.9312 -1.6684 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3576 1.7480 0.5625 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7834 -0.1763 1.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 0.7345 -0.2724 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 1.4826 0.0084 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4126 2.2679 0.1801 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 0.3918 -1.2763 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2940 1.6526 -0.8104 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5741 1.9637 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0596 -0.0912 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9076 -2.1031 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 -1.4014 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1958 1.6390 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 1.4115 0.5396 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6489 -0.0362 0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1595 0.4557 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -0.5938 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5379 -0.7990 1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8914 -2.2578 1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5014 -2.0521 -0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3861 -2.8014 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6908 -2.8021 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4431 0.4613 -2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1445 2.3884 -1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 1.2246 0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 -3.0891 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1538 -2.2436 -2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 1.7364 1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0445 -0.0540 -1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -0.4765 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1737 -0.3625 2.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 2.0699 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1955 2.0987 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 -2.8265 1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6631 -2.4123 2.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -2.5093 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6595 -3.8517 0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6478 -3.2418 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0741 -3.6099 -1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 -2.0516 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 2.1533 1.0791 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 15 1 0 0 0 0 3 25 1 0 0 0 0 4 16 2 0 0 0 0 5 19 1 0 0 0 0 5 44 1 0 0 0 0 6 19 2 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 28 1 0 0 0 0 9 17 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END > DB11367 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RDMOROXKXONCAL-UEKVPHQBSA-N/SDF?record_type=3d > [H][C@]12SCC(OC)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CCC=CC1)C(O)=O > InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1 > RDMOROXKXONCAL-UEKVPHQBSA-N > C16H19N3O5S > 365.4 > 365.104541898 > 6 > 44 > 36.500549110267606 > 1 > 3 > 0 > 0 > (6R,7R)-7-[(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 0.65 > -3.4026069177214344 > -2.57 > 0 > 3 > 0 > 11.904232215595593 > 3.2757511229672196 > 7.59538309735072 > 121.96000000000001 > 94.51110000000003 > 5 > 1 > 9.87e-01 g/l > cefroxadine > 0 $$$$