5361871 -OEChem-01172014233D 57 60 0 1 0 0 0 0 0999 V2000 1.1669 0.9861 -2.2075 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9016 -0.3832 -0.0503 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5659 -1.7555 0.4402 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 -3.5896 1.6752 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4826 2.2563 2.0666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 3.1799 2.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6873 0.9999 2.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3887 1.3639 1.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7846 0.7396 -1.6485 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0702 -2.5971 -0.5837 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3458 -1.7992 -1.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0649 2.1292 0.1866 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 1.0483 -0.6539 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5175 -0.5532 -1.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 0.7548 -0.1285 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7997 -2.9810 -0.0956 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6455 -5.2818 0.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6334 2.3592 -1.1291 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0141 2.2562 -0.4447 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2128 2.2489 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 1.8851 0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 1.5477 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 1.3141 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 1.3412 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 1.9400 1.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 0.7365 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5746 -0.5554 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6663 -0.3540 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 -1.8364 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9969 -0.8161 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6723 0.4881 0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 -1.9387 1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3153 -1.4395 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6265 1.6021 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2678 -3.9836 0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8803 -1.9642 -0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8205 0.6512 -2.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4065 3.3569 -1.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6229 3.1596 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 2.1856 -2.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 0.4450 -2.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5603 0.4031 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9752 1.9844 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 1.6265 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4901 3.2611 2.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -1.1758 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2432 -2.2736 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0206 -0.7069 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1474 1.8150 0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1126 2.5163 -0.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3718 1.3579 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5048 0.0253 -3.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.2437 -2.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0340 1.6567 -2.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3799 -5.5579 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 -6.0266 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4319 -2.9106 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 24 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 3 30 1 0 0 0 0 4 32 1 0 0 0 0 4 35 1 0 0 0 0 5 20 2 0 0 0 0 6 25 1 0 0 0 0 6 45 1 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 14 1 0 0 0 0 9 37 1 0 0 0 0 10 36 1 0 0 0 0 10 57 1 0 0 0 0 11 36 2 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 19 1 0 0 0 0 13 26 1 0 0 0 0 13 42 1 0 0 0 0 14 27 2 0 0 0 0 15 28 2 0 0 0 0 15 31 1 0 0 0 0 16 29 1 0 0 0 0 16 35 2 0 0 0 0 17 35 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 29 32 2 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 32 46 1 0 0 0 0 33 36 1 0 0 0 0 33 47 1 0 0 0 0 33 48 1 0 0 0 0 34 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 37 52 1 0 0 0 0 37 53 1 0 0 0 0 37 54 1 0 0 0 0 M END > DB13470 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XDZKBRJLTGRPSS-BGZQYGJUSA-N/SDF?record_type=3d > [H][C@]12SCC(CSC3=NC(C)=C(CC(O)=O)S3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O > InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12-/t13-,17-/m1/s1 > XDZKBRJLTGRPSS-BGZQYGJUSA-N > C20H20N6O7S4 > 584.669 > 584.027629784 > 11 > 57 > -1.9972317928465264 > 56.470291159333684 > 0 > 4 > 0 > 0 > (6R,7R)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-({[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid > 1.07 > 0.24040378778453186 > -3.93 > 1 > -2 > 4 > -2 > 4.205935426635165 > 2.683383410719549 > 3.44944209892442 > 197.39999999999998 > 136.92649999999998 > 10 > 0 > 6.80e-02 g/l > motesanib > 0 $$$$