4369325 -OEChem-10051721143D 36 37 0 0 0 0 0 0 0999 V2000 -4.6576 1.1731 -1.5414 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 -1.8969 2.8575 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -2.5612 0.9618 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8086 2.3562 -1.8827 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 0.8655 0.9999 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0054 3.5166 1.5534 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 1.3772 2.3339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6546 -2.5682 0.6241 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.5190 -0.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 -1.6214 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1291 -0.6312 0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -1.6985 1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5077 0.6145 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0317 -1.6960 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 -0.7241 -2.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 -0.8677 -0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 1.6236 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 0.1414 -1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 -0.8615 -0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 0.1104 -2.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2637 1.3872 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 0.0419 -1.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 2.1669 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 2.2712 1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -3.5396 -1.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 -2.2203 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -3.2985 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -0.6604 -2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 -1.8345 -0.2129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6514 2.6145 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -0.0426 -1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9644 -0.9270 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0925 0.8095 -3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 2.9261 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 2.3459 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 3.6122 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 12 2 0 0 0 0 3 14 1 0 0 0 0 4 21 1 0 0 0 0 5 13 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 6 36 1 0 0 0 0 7 24 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 20 2 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 22 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END > DB08084 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JCZUIWYXULSXSW-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)COC1=CC(F)=CC=C1C(=S)NCC1=CC=C(Br)C=C1F > InChI=1S/C16H12BrF2NO3S/c17-10-2-1-9(13(19)5-10)7-20-16(24)12-4-3-11(18)6-14(12)23-8-15(21)22/h1-6H,7-8H2,(H,20,24)(H,21,22) > JCZUIWYXULSXSW-UHFFFAOYSA-N > C16H12BrF2NO3S > 416.237 > 414.968933002 > 3 > 36 > -0.9998180390831113 > 34.34328062675317 > 1 > 2 > 0 > 1 > 2-(2-{[(4-bromo-2-fluorophenyl)methyl]carbamothioyl}-5-fluorophenoxy)acetic acid > 3.96 > 4.036373418333333 > -5.79 > 0 > -1 > 2 > -1 > 11.779647651707949 > 3.2979998657573137 > -4.940823831221262 > 58.559999999999995 > 93.24 > 6 > 1 > 6.80e-04 g/l > tetrahydrofolic acid > 0 $$$$