24755476 -OEChem-10051721193D 41 44 0 0 0 0 0 0 0999 V2000 -2.4847 0.8705 -1.4064 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2438 0.9363 -1.8918 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -2.8559 -0.2928 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0135 0.9296 -0.5992 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4968 -0.4659 0.5538 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2316 -1.6310 -0.2472 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1953 0.6097 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4281 -0.1674 -0.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 -1.3006 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1521 -0.8013 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 0.4004 -0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0574 -0.4038 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 -1.5619 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -1.9429 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 -1.7030 1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -0.8223 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2252 1.7217 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7563 -0.7314 -0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2413 0.5842 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 1.4280 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7758 1.1120 1.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6866 -2.8155 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 2.7997 -0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8603 2.4836 1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 3.3274 0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9223 0.5458 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1509 1.5615 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 0.1003 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3888 -2.6393 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 -2.2097 2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5427 1.8351 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8102 2.6823 0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1141 1.5151 0.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0181 -0.7141 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0315 -1.5390 -0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6580 -0.9869 0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3495 0.4719 2.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -3.7522 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3035 3.4566 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 2.8944 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 4.3953 0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 27 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 16 1 0 0 0 0 6 22 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 26 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 12 28 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END > DB08352 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FQYJTHIYAQQJAB-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)NC1=NC2=C(S1)C=C(C=C2)C1=C(N=CO1)C1=CC=CC=C1F > InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23) > FQYJTHIYAQQJAB-UHFFFAOYSA-N > C19H16FN3OS > 353.413 > 353.099811044 > 3 > 41 > 9.833916768648295e-05 > 36.913033999006075 > 1 > 1 > 0 > 1 > 6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-(propan-2-yl)-1,3-benzothiazol-2-amine > 5.13 > 4.728778371333333 > -4.33 > 0 > 0 > 4 > 0 > 15.33750887052672 > 2.992831814633723 > 50.95 > 96.6669 > 4 > 1 > 1.64e-02 g/l > biotin > 0 $$$$