157839 -OEChem-02092015363D 37 40 0 0 0 0 0 0 0999 V2000 1.6042 1.4124 -1.5488 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 -2.3450 0.8710 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1177 2.9935 -0.3645 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7757 -0.8707 1.8110 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8964 3.2877 1.3479 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9058 2.2564 1.7367 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 0.6083 -0.4972 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6806 -1.0542 -0.7994 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4915 -0.3133 -1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1279 -1.2947 -0.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2514 -0.6907 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -0.4960 -2.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 0.8458 -1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2912 1.5921 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 -0.1740 -1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8552 -2.6430 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1191 -1.3704 0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7145 -3.3354 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8284 -2.7068 1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 -0.4332 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9243 0.9261 -0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 2.3844 1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -1.0449 0.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 1.6921 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8462 -0.2884 1.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9549 1.0621 0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1973 -1.5360 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 0.1042 -3.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 1.8155 -1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2446 1.0798 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 2.2734 -1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9905 -3.1481 -0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9867 -0.8901 1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 -4.3753 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 -3.2633 1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7943 1.6367 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6848 3.8206 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 5 22 1 0 0 0 0 5 37 1 0 0 0 0 6 22 2 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 12 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 22 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 21 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 26 2 0 0 0 0 26 36 1 0 0 0 0 M END > DB07063 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KYHVTMFADJNSGS-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CN1C=C(CC2=NC3=C(F)C(F)=CC(F)=C3S2)C2=C1C=CC=C2 > InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25) > KYHVTMFADJNSGS-UHFFFAOYSA-N > C18H11F3N2O2S > 376.352 > 376.049332911 > 3 > 37 > -0.9983648551285529 > 33.81078186388418 > 1 > 1 > 0 > 1 > 2-{3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid > 3.94 > 4.299403491666666 > -4.53 > 0 > -1 > 4 > -1 > 4.215477999116998 > 1.4487013908252853 > 55.120000000000005 > 89.00829999999998 > 4 > 1 > 1.10e-02 g/l > mozenavir > 0 $$$$