3290 -OEChem-10051719143D 46 48 0 1 0 0 0 0 0999 V2000 3.0189 0.6105 -1.1740 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2584 -0.3276 0.1418 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4603 -0.0774 0.4522 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9003 0.0524 -0.2519 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9181 -0.4203 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5967 -0.5587 -1.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3771 -1.7823 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 0.2142 -0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 -1.1480 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 1.2986 0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.9554 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 1.7337 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7396 -2.1916 0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1275 1.7016 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 -2.4388 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0225 2.2884 1.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 -2.0188 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 3.0989 -0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -3.4909 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3607 3.6435 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2026 -3.2815 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4884 4.0495 0.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8202 1.1362 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 -0.0168 1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 -1.4861 0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4483 -1.6429 -1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 -0.3155 -2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 -0.1490 -1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 -2.2973 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 -2.2165 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2272 -0.2533 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2406 0.0357 -0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0568 -1.6418 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -2.0703 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 -3.2561 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0383 2.1788 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 2.0302 -1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0344 2.1066 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2816 -2.6840 1.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 2.0400 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4027 -1.8735 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 3.4368 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 -4.4679 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2582 4.3767 1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9068 -4.0948 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 5.1009 0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 13 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 17 2 0 0 0 0 12 18 2 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 19 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 M END > DB00392 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CDOZDBSBBXSXLB-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)C(C)CN1C2=CC=CC=C2SC2=CC=CC=C12 > InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 > CDOZDBSBBXSXLB-UHFFFAOYSA-N > C19H24N2S > 312.472 > 312.166019468 > 2 > 46 > 0.9974995942069923 > 36.343471237853095 > 1 > 0 > 0 > 1 > diethyl[1-(10H-phenothiazin-10-yl)propan-2-yl]amine > 5.75 > 5.001186761000001 > -4.78 > 0 > 1 > 3 > 1 > 9.600902231194752 > 6.48 > 98.00210000000004 > 5 > 0 > 5.24e-03 g/l > biotin > 1 $$$$