7619 -OEChem-07041811243D 28 30 0 0 0 0 0 0 0999 V2000 1.3788 1.9145 0.5880 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 1.8032 -0.9075 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2486 -1.3275 -0.6733 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3144 0.5663 0.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 0.1836 0.9963 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 -0.0377 -1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7172 0.5798 0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 -1.4154 -1.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3306 -0.8149 0.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 1.2016 0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4086 0.5954 -0.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8892 -0.1794 0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6802 0.3509 -1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 -1.2355 1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4346 -0.7003 -0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9390 -1.4845 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7362 0.6182 -1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 -0.1677 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 0.9322 1.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 1.2711 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -2.1271 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8788 -1.8151 -2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 -0.7702 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8378 -1.5079 1.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0735 0.9590 -1.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2948 -1.8545 1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -0.9064 -0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -2.2979 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 10 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 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 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END > DB14202 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MHKLKWCYGIBEQF-UHFFFAOYSA-N/SDF?record_type=3d > C1CN(CCO1)SC1=NC2=CC=CC=C2S1 > InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2 > MHKLKWCYGIBEQF-UHFFFAOYSA-N > C11H12N2OS2 > 252.35 > 252.039105362 > 3 > 28 > 26.488551584567013 > 1 > 0 > 0 > 1 > 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole > 2.43 > 2.5417229553333334 > -2.81 > 0 > 3 > 0 > 1.3237247970399455 > 25.360000000000003 > 64.74199999999999 > 2 > 1 > 3.93e-01 g/l > 2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole > 1 $$$$