4078 -OEChem-09071813433D 52 55 0 1 0 0 0 0 0999 V2000 -3.7885 1.5288 0.3425 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5744 -4.4356 0.1586 S 0 0 1 0 0 0 0 0 0 0 0 0 -0.1906 -4.4215 0.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7966 -0.6396 -0.8963 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.7851 0.7363 0.4676 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9264 -0.2192 0.2263 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4853 1.0568 0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4842 0.0650 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9268 0.8759 1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1786 -0.8714 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7845 0.3789 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 0.4316 0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3034 -1.8455 -1.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 -0.3412 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 2.0713 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -0.1088 0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3754 2.5426 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2732 -1.6857 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 2.9755 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9932 -1.1808 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -2.7472 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6354 3.8652 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 -2.4946 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 4.2875 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5926 4.7337 -0.7512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -4.5580 -1.6401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -1.0199 0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9159 1.3352 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4314 1.9014 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 0.8389 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 -0.8100 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 0.1542 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3228 1.8233 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8089 -1.1511 -1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2155 -1.7026 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8772 1.1681 -0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 0.1596 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 -0.3740 1.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 1.2901 1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1234 -2.6663 -0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0241 -2.1942 -2.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 -1.6464 -2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2213 -1.9389 0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0302 2.7112 -0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0654 -1.0025 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6563 4.2334 -0.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2564 -3.3053 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 4.9580 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 5.7528 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 -4.4594 -2.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -5.5386 -1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7115 -3.7791 -2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 2 26 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 17 22 2 0 0 0 0 18 21 2 0 0 0 0 18 43 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 45 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END > DB00933 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SLVMESMUVMCQIY-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCCCC1CCN1C2=C(SC3=C1C=C(C=C3)S(C)=O)C=CC=C2 > InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3 > SLVMESMUVMCQIY-UHFFFAOYSA-N > C21H26N2OS2 > 386.574 > 386.148654844 > 3 > 52 > 43.83188202919558 > 1 > 0 > 0 > 1 > 2-methanesulfinyl-10-[2-(1-methylpiperidin-2-yl)ethyl]-10H-phenothiazine > 3.83 > 3.5745034059999994 > -3.70 > 0 > 4 > 1 > 15.859156797489963 > 8.19134613768767 > 23.550000000000004 > 115.12530000000002 > 4 > 1 > 7.67e-02 g/l > mesoridazine > 1 $$$$