26879 -OEChem-10051719243D 26 28 0 1 0 0 0 0 0999 V2000 -3.3517 1.4325 -0.3950 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 -0.7198 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7955 0.7336 -1.0825 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -1.3466 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0255 -0.5086 -0.7737 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1691 -0.8449 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 0.4512 -0.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2501 0.0894 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -0.1825 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6639 0.9875 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -1.0510 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 1.2887 0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7687 -0.7497 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0079 0.4202 0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8029 -2.4066 0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 -1.2406 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 -1.0685 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8791 -0.5178 2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 -1.8759 1.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8665 -0.4424 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8968 0.4957 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8601 1.6745 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 -1.9665 -1.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 2.1981 1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5882 -1.4263 -0.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0135 0.6543 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB00848 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HLFSDGLLUJUHTE-SNVBAGLBSA-N/SDF?record_type=3d > C1CN2C[C@@H](N=C2S1)C1=CC=CC=C1 > InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2/t10-/m1/s1 > HLFSDGLLUJUHTE-SNVBAGLBSA-N > C11H12N2S > 204.291 > 204.072119084 > 2 > 26 > 0.4857847972601057 > 22.351536341291762 > 1 > 0 > 0 > 1 > (6S)-6-phenyl-2H,3H,5H,6H-imidazo[2,1-b][1,3]thiazole > 2.20 > 2.3582269016666664 > -2.15 > 0 > 1 > 3 > 0 > 6.975299007898726 > 15.6 > 60.078400000000016 > 1 > 1 > 1.44e+00 g/l > tetrahydrofolic acid > 1 $$$$