24878044 -OEChem-10051721213D 49 51 0 0 0 0 0 0 0999 V2000 -1.1350 -1.7918 2.9543 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2789 -1.9043 -0.1101 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7839 -0.1605 -0.6790 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9139 -0.1286 1.7613 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5996 -2.4093 -1.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1139 -0.5305 -2.0482 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 -0.5312 0.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9036 0.4241 -0.2881 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 -2.2355 0.5316 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5115 1.5250 -0.6137 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0652 1.8597 -2.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6758 2.4184 -2.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1473 0.4538 -1.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 2.2445 -0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 1.2814 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1952 3.0553 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3178 1.1622 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 2.9319 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2786 1.9825 1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 -0.3847 0.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 3.8232 1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9191 -3.0301 0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6593 -2.5180 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6406 -1.7429 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 -0.7696 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5481 -1.5016 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0075 -1.4975 -1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8223 -1.0150 1.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 -1.0110 -1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2939 1.8513 -3.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 2.4992 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9532 1.9016 -2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 3.4798 -2.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -0.1927 -2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 0.0583 -1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 3.7911 -0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 0.4123 2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0863 1.8597 2.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9478 4.7499 1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 4.0734 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 3.3368 2.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8124 -3.1168 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1407 -4.0251 -0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 -2.3867 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3699 -1.6491 -1.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5229 -0.8219 1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 -0.8189 -2.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 2.0453 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9098 2.0426 0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 25 1 0 0 0 0 4 20 2 0 0 0 0 5 23 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 44 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 M END > DB08494 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AWAKIULNKVOBKE-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC2=C(C=C1)N(CCC2)C(=O)SCC(=O)NC1=C(Cl)C=C(C=C1)S(N)(=O)=O > InChI=1S/C19H20ClN3O4S2/c1-12-4-7-17-13(9-12)3-2-8-23(17)19(25)28-11-18(24)22-16-6-5-14(10-15(16)20)29(21,26)27/h4-7,9-10H,2-3,8,11H2,1H3,(H,22,24)(H2,21,26,27) > AWAKIULNKVOBKE-UHFFFAOYSA-N > C19H20ClN3O4S2 > 453.963 > 453.05837523 > 5 > 49 > -0.002523886488729502 > 46.449264768441125 > 1 > 2 > 0 > 1 > N-(2-chloro-4-sulfamoylphenyl)-2-(6-methyl-1,2,3,4-tetrahydroquinoline-1-carbonylsulfanyl)acetamide > 2.93 > 3.257848214666666 > -4.82 > 0 > 0 > 3 > 0 > 12.14045956445275 > 9.59808702220493 > -0.8674349761872152 > 109.56999999999998 > 116.38019999999999 > 5 > 1 > 6.93e-03 g/l > tetrahydrofolic acid > 0 $$$$