213053 -OEChem-10051720463D 38 40 0 0 0 0 0 0 0999 V2000 -4.1314 2.8773 -0.0051 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 -0.9468 -0.0598 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -2.5441 1.9962 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -3.7117 -0.4823 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3272 -2.3621 -0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5186 -0.4232 -1.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3506 2.1871 0.0458 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6733 3.9683 0.1463 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -0.5222 1.4487 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6293 1.7058 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8321 1.4487 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 0.3086 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1881 -0.0221 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 2.0160 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8436 0.1554 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4277 3.5481 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 2.8265 0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1663 1.2774 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -0.5832 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -0.4597 1.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 -0.2741 -1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4932 -1.8109 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4275 -1.6250 -1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -2.3935 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 -4.6408 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9994 3.0176 -0.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0647 -0.2955 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4339 4.1964 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0595 1.7345 -0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 -1.5778 0.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0847 -0.0188 1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 0.3110 -2.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5283 -2.0726 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3657 -1.2398 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1780 0.0859 1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2711 -4.5843 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2253 -4.4475 -1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2784 -5.6480 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 22 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 16 2 0 0 0 0 8 17 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 17 2 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 M END > DB05095 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KYXDNECMRLFQMZ-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(F)C=C(C=C1)C1=C(Cl)N=CN1C1=CC=C(C=C1)S(N)(=O)=O > InChI=1S/C16H13ClFN3O3S/c1-24-14-7-2-10(8-13(14)18)15-16(17)20-9-21(15)11-3-5-12(6-4-11)25(19,22)23/h2-9H,1H3,(H2,19,22,23) > KYXDNECMRLFQMZ-UHFFFAOYSA-N > C16H13ClFN3O3S > 381.809 > 381.035017899 > 4 > 38 > 3.9951428836272845e-06 > 35.531996934019176 > 1 > 1 > 0 > 1 > 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-1-yl]benzene-1-sulfonamide > 3.21 > 2.7189200866666665 > -4.33 > 0 > 0 > 3 > 0 > 10.686110546880569 > 3.322234496957553 > 87.21000000000001 > 103.72370000000004 > 4 > 1 > 1.80e-02 g/l > tetrahydrofolic acid > 0 $$$$