187764 -OEChem-10061700253D 62 65 0 1 0 0 0 0 0999 V2000 -2.4154 3.9334 -0.2129 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4067 0.6286 -0.6815 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 0.8205 -1.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4545 5.1913 -0.6059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 4.0638 1.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 3.7685 -1.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4014 1.6165 -0.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 0.1213 -2.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 -4.3610 0.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5279 -0.3920 1.3512 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.1444 -0.5054 0.0967 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 2.9310 0.3951 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4863 -0.6901 0.4244 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2838 -2.4004 -0.6747 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -3.3150 -0.7287 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1746 2.6326 -0.3623 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8120 1.3967 0.1462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 0.7882 1.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6837 0.5384 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0392 1.2275 2.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2693 -1.3319 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 -1.6009 1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 2.3938 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6655 -1.6108 -1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9908 -1.8752 0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4569 1.3851 -0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4162 2.8436 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 1.3044 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7179 0.8450 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6773 2.3037 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7723 -2.4245 -1.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0975 -2.6891 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4881 -2.9637 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4049 -1.6382 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -1.7255 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5452 -2.6559 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -3.4297 0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -5.1246 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 2.5751 -1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0267 3.6514 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 0.8985 3.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 2.3145 2.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0342 0.7949 2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.4901 3.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 -2.5010 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9744 -1.7846 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1185 -1.2348 -2.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 -1.6570 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 0.9909 -1.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 3.6205 1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 5.2212 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 0.0661 -1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 2.6714 1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 -2.6438 -2.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6601 -3.1029 1.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3501 -3.5971 -0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8355 -0.4504 1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 -1.0938 2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8534 -2.7671 2.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5405 -5.8169 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -4.4790 -1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2961 -5.7163 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 16 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 19 2 0 0 0 0 4 51 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 12 40 1 0 0 0 0 13 34 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 34 2 0 0 0 0 15 37 2 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 31 1 0 0 0 0 24 47 1 0 0 0 0 25 32 2 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 26 49 1 0 0 0 0 27 30 2 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 38 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > DB13556 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BGLHAKAJGYLSOX-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(NS(=O)(=O)C2=CC=C(NC(C3=C(C)N(C)N(C3=O)C3=CC=CC=C3)S(O)(=O)=O)C=C2)N=N1 > InChI=1S/C23H24N6O7S2/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35) > BGLHAKAJGYLSOX-UHFFFAOYSA-N > C23H24N6O7S2 > 560.6 > 560.114789485 > 11 > 62 > 54.33737861158776 > 0 > 3 > 0 > 0 > (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)({4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}amino)methanesulfonic acid > 1.61 > -0.1602274441107182 > -4.16 > 1 > 4 > -2 > 6.796371319681905 > -1.5986787140509362 > -0.5967076459666657 > 171.13 > 141.93280000000004 > 8 > 0 > 3.89e-02 g/l > sulfamazone > 0 $$$$