23644575 -OEChem-11111916343D 30 31 0 1 0 0 0 0 0999 V2000 1.8338 -1.5131 -0.1816 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -2.2698 -0.4707 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 2.1604 -1.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 0.8107 -0.4935 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7513 -0.9591 0.1072 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0699 0.0018 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9478 -0.1764 -0.6828 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9770 -1.2304 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5118 0.2826 1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 1.0520 -0.7509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4644 -0.4223 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9794 -0.2910 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1602 -0.9726 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 1.0589 0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 -0.3043 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 1.7272 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 1.0457 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 0.8642 0.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -0.3825 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4851 -2.1137 0.7729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3341 -1.4788 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -1.0309 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0013 -0.5757 2.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 1.1404 1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 0.5309 2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8135 -1.9701 0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 1.6187 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3026 -0.8353 -0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2798 2.7754 0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3784 1.5653 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 3 10 2 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END > DB08771 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OJJBBNIYQKFZDK-SNVBAGLBSA-N/SDF?record_type=3d > CC(C)[C@H]1SC(NC2=C(F)C=CC=C2)=NC1=O > InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1 > OJJBBNIYQKFZDK-SNVBAGLBSA-N > C12H13FN2OS > 252.308 > 252.073261943 > 3 > 30 > 25.519625962565513 > 1 > 1 > 0 > 1 > (5R)-2-[(2-fluorophenyl)amino]-5-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-one > 3.02 > 3.1229998523333338 > -3.45 > 0 > 2 > 0 > 7.2170018908924725 > -3.5706758899287276 > 41.46 > 67.55770000000001 > 2 > 1 > 8.91e-02 g/l > biib021 > 0 $$$$