5281881 -OEChem-10051719253D 55 58 0 0 0 0 0 0 0999 V2000 4.5276 -0.2634 -1.5930 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0014 -4.9398 0.1200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1166 -3.6961 1.8929 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2884 -3.1891 0.1326 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.6548 -0.0080 0.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 1.4200 -0.6806 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 1.3802 -0.2477 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 1.0582 0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 2.3460 -1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5006 0.4534 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8232 1.7399 -1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 2.0002 -0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7245 0.8015 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2531 0.9850 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3570 0.5368 0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 1.5561 0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 0.8183 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 -0.6237 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 1.4939 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 -1.2049 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6594 1.0618 -0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1154 -1.4400 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 2.5243 1.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0531 -2.7938 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 -2.5651 -1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9069 1.6865 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 -3.3543 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0045 3.1346 1.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0767 2.7196 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -3.6382 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1469 1.9290 1.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5138 0.2831 1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0235 2.5567 -2.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4981 3.3044 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 -0.5085 -0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8518 0.2523 1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4639 2.4815 -2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 0.8633 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2409 2.9182 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8058 2.2806 -1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6981 -0.1247 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3747 1.4925 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 0.7365 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3063 0.1267 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4618 1.4604 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8166 -0.1936 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1701 2.6223 0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4077 -1.0970 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9464 2.8617 1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5520 -0.8442 0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8286 -3.0272 -1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7621 1.3731 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9959 -4.4052 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1377 3.9315 2.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0469 3.1947 0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 4 30 1 0 0 0 0 5 15 1 0 0 0 0 5 50 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 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 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 22 24 2 0 0 0 0 22 48 1 0 0 0 0 23 28 1 0 0 0 0 23 49 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 29 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 M END > DB00875 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NJMYODHXAKYRHW-DVZOWYKESA-N/SDF?record_type=3d > [H]\C(CCN1CCN(CCO)CC1)=C1/C2=CC=CC=C2SC2=C1C=C(C=C2)C(F)(F)F > InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5- > NJMYODHXAKYRHW-DVZOWYKESA-N > C23H25F3N2OS > 434.52 > 434.163969096 > 3 > 55 > 44.78942344013997 > 1 > 1 > 0 > 1 > 2-(4-{3-[(9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol > 4.56 > 4.496787735333333 > -5.04 > 1 > 4 > 1 > 15.593098171378148 > 8.428423544962852 > 26.71 > 128.16920000000002 > 6 > 1 > 3.99e-03 g/l > α-flupenthixol > 1 $$$$