46840946 -OEChem-05201910313D 43 46 0 0 0 0 0 0 0999 V2000 0.6884 -0.2465 -3.5859 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9609 4.3112 1.1064 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 -1.7650 0.4079 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 3.3759 0.5583 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5097 -1.6742 2.0330 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4373 -0.3378 -1.4489 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 -2.9416 1.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8904 -1.8204 -0.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 -0.4243 1.4028 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7439 -2.5206 0.8053 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8969 -2.6879 -0.5194 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 -1.0476 2.4423 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6071 1.1309 -0.4758 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 -1.3429 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 0.5821 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 0.7278 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -0.6688 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 -0.7023 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1921 -1.0016 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 -1.3471 0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -0.6646 -1.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0463 -1.0103 0.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8321 1.6901 0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1374 -1.3474 1.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 1.9815 -0.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3646 -1.5739 -1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 2.9438 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 3.0896 -0.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2963 0.8969 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 1.9917 1.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 2.4033 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 -0.9922 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 -1.0295 1.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7707 1.5865 0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 -0.5133 2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 2.1189 -1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3579 -1.4475 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 4.0608 -0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0773 -3.2499 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4629 -0.1865 2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1914 -1.6687 3.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 2.0472 2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5866 2.8208 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 27 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 9 29 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 39 1 0 0 0 0 11 26 2 0 0 0 0 12 24 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 29 1 0 0 0 0 13 31 2 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 24 2 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 22 33 1 0 0 0 0 23 27 2 0 0 0 0 23 34 1 0 0 0 0 25 28 2 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 27 28 1 0 0 0 0 28 38 1 0 0 0 0 29 30 2 0 0 0 0 30 42 1 0 0 0 0 31 43 1 0 0 0 0 M END > DB14856 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZYSCOUXLBXGGIM-UHFFFAOYSA-N/SDF?record_type=3d > NC1=C(C=NN1)C1=CC(Cl)=CC=C1OC1=CC(F)=C(C=C1Cl)S(=O)(=O)NC1=CSC=N1 > InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) > ZYSCOUXLBXGGIM-UHFFFAOYSA-N > C18H12Cl2FN5O3S2 > 500.34 > 498.9742652 > 5 > 43 > 43.94832626199159 > 1 > 3 > 0 > 0 > 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,3-thiazol-4-yl)benzene-1-sulfonamide > 4.41 > 3.6766904242068663 > -5.15 > 0 > 4 > -1 > 13.536362385207193 > 5.628707328364148 > 3.6738883134435114 > 122.99 > 117.25619999999998 > 5 > 0 > 3.58e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$