24794406 -OEChem-10051721093D 50 53 0 0 0 0 0 0 0999 V2000 -6.5003 -3.0193 -2.4549 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4251 -0.0446 2.1527 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5378 -0.4069 3.0198 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1785 0.4070 2.7545 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0528 2.8590 -1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 -1.6605 1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 1.4598 0.0796 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1132 -1.3674 1.0956 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 -0.3216 -0.1999 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -1.7228 0.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 1.1967 1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1327 1.8142 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3381 1.5645 1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 1.3880 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0912 0.2628 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 2.7995 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 1.9748 -0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 2.1339 -0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 0.0796 -0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 2.5497 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 1.5715 -0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9584 -0.4832 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9614 3.1671 -0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -1.7798 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6486 -1.2881 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4568 0.0761 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 -2.2018 -1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0238 -1.8747 0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -0.4398 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 -1.4501 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8811 -2.5902 -1.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4043 -2.1080 -0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 -2.5454 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 1.1049 1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 0.7692 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 3.3273 -1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 -1.4888 0.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 3.1594 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 -0.5569 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8693 2.8358 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8106 2.1996 -1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0099 -1.5248 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3399 3.9340 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 0.8067 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8139 -2.2309 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 -2.6373 1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4775 -0.1250 -1.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9752 -1.8641 0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 -2.9251 -2.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4032 -2.0496 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 5 17 2 0 0 0 0 6 25 2 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 35 1 0 0 0 0 8 24 1 0 0 0 0 8 37 1 0 0 0 0 9 15 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 24 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 13 20 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 36 1 0 0 0 0 18 21 1 0 0 0 0 18 38 1 0 0 0 0 19 22 2 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 44 1 0 0 0 0 27 31 2 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 33 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 50 1 0 0 0 0 M END > DB07800 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MIJGLXFQYBTIFY-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CN=C(NS(=O)(=O)C2=C(NC(=O)C3=CC=C(C=C3)N3C=CC=CC3=O)C=CC=C2)C=C1 > InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30) > MIJGLXFQYBTIFY-UHFFFAOYSA-N > C23H17ClN4O4S > 480.923 > 480.065903449 > 5 > 50 > -0.8573973494199155 > 47.99905331248996 > 1 > 2 > 0 > 0 > N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxo-1,2-dihydropyridin-1-yl)benzamide > 3.58 > 3.4588762846666663 > -5.14 > 0 > -1 > 4 > -1 > 14.499027504345225 > 6.220945644510418 > -1.2389431263066388 > 108.47 > 128.0467 > 5 > 1 > 3.49e-03 g/l > tetrahydrofolic acid > 0 $$$$