6077 -OEChem-10051719383D 45 47 0 0 0 0 0 0 0999 V2000 -0.1929 3.4939 0.1371 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9746 -1.8458 0.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5835 0.4409 0.5752 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 -4.3615 -0.3832 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -0.8783 1.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9191 -1.9609 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 0.8572 0.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 1.1694 0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 -3.3684 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 2.2128 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 2.5558 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8120 -0.0608 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 0.5422 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1171 0.3480 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3585 2.6192 -0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 3.2722 -0.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3912 1.6898 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1635 1.2581 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -4.0774 -1.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3736 -5.7089 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0900 2.6251 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1898 -0.6322 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 -0.1905 -0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 -1.1210 1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6314 -0.8784 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0302 -1.9999 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -1.6821 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -3.3656 1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3254 -3.6202 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6521 -1.1194 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -0.5152 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 3.6677 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 4.3452 -0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3879 2.0564 -0.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1168 0.7440 -0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 -3.1957 -1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3355 -3.9465 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5549 -4.9001 -1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 -6.4593 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -5.8292 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5041 -5.9399 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9823 3.1866 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 0.4930 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 0.2707 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2704 -1.0689 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 22 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 13 2 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 12 14 2 0 0 0 0 12 30 1 0 0 0 0 13 18 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 32 1 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 18 21 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END > DB01614 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NOSIYYJFMPDDSA-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCCN1C2=CC=CC=C2SC2=C1C=C(C=C2)C(C)=O > InChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3 > NOSIYYJFMPDDSA-UHFFFAOYSA-N > C19H22N2OS > 326.456 > 326.145284026 > 3 > 45 > 0.9922881060391582 > 37.168175407588336 > 1 > 0 > 0 > 1 > 1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethan-1-one > 4.32 > 3.488603084666667 > -4.52 > 0 > 1 > 3 > 1 > 16.055947413720137 > 9.109476737149373 > 23.550000000000004 > 99.35430000000002 > 5 > 1 > 9.80e-03 g/l > biotin > 1 $$$$