56599306 -OEChem-10051722343D 62 65 0 0 0 0 0 0 0999 V2000 -0.4536 2.1389 4.0190 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 -3.0852 1.2674 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 -0.6899 -2.2501 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -3.7803 2.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -3.8100 0.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 2.9123 -1.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1067 -1.4840 -0.2376 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 -0.2984 -1.2896 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -1.6519 1.9821 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9708 0.8845 1.6432 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8752 -0.9836 0.4639 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 1.5041 0.1223 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4714 -0.8660 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1148 -0.9963 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9959 -2.2367 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3688 0.0917 0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4599 -2.4625 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 -1.7263 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8741 -2.2227 0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7446 -0.6485 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -2.2058 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2961 -1.4696 -1.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1585 0.5778 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.7091 -2.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 -0.0713 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8162 1.1885 -0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1234 1.7165 1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 -0.3639 -1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 2.1089 -1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.9064 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 0.5643 -1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 1.8059 -2.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 2.3467 2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 2.7269 -0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 3.1672 2.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2817 3.3574 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 3.7638 -1.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3605 -2.6840 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0242 -2.9401 -0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0083 -2.1642 0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9289 1.0512 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7415 -0.3166 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3542 0.2937 1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3491 -1.7042 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 -2.4114 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5129 -0.8996 -2.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1072 0.6077 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 -1.2836 2.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -2.3837 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9102 -1.0835 -2.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 -1.5078 -3.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9916 0.5848 2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0651 -1.3346 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9513 3.0868 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.4161 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0846 0.3156 -2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 2.5380 -2.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 3.6648 2.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 4.0062 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1379 3.7982 -2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 4.7901 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9342 3.3553 -1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 14 2 0 0 0 0 6 34 1 0 0 0 0 6 37 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 44 1 0 0 0 0 8 13 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 20 1 0 0 0 0 9 48 1 0 0 0 0 10 23 1 0 0 0 0 10 27 1 0 0 0 0 10 52 1 0 0 0 0 11 20 2 0 0 0 0 11 25 1 0 0 0 0 12 23 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 27 30 1 0 0 0 0 27 33 2 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 29 54 1 0 0 0 0 30 34 2 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 36 2 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 37 61 1 0 0 0 0 37 62 1 0 0 0 0 M END > DB11772 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QINPEPAQOBZPOF-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(Cl)C(NC2=C(NS(=O)(=O)C3=CC(NC(=O)C(C)(C)N)=CC=C3)N=C3C=CC=CC3=N2)=C1 > InChI=1S/C25H25ClN6O4S/c1-25(2,27)24(33)28-15-7-6-8-17(13-15)37(34,35)32-23-22(29-19-9-4-5-10-20(19)30-23)31-21-14-16(36-3)11-12-18(21)26/h4-14H,27H2,1-3H3,(H,28,33)(H,29,31)(H,30,32) > QINPEPAQOBZPOF-UHFFFAOYSA-N > C25H25ClN6O4S > 541.02 > 540.1346522 > 8 > 62 > 52.893473214323976 > 1 > 4 > 0 > 0 > 2-amino-N-[3-({3-[(2-chloro-5-methoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-2-methylpropanamide > 3.98 > 3.268829035916095 > -5.05 > 1 > 4 > 0 > 12.271564710989423 > 5.989901734538064 > 8.48264582483274 > 148.33 > 142.09370000000004 > 7 > 0 > 4.80e-03 g/l > 2-amino-N-[3-({3-[(2-chloro-5-methoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-2-methylpropanamide > 0 $$$$