5311507 -OEChem-03062018483D 52 55 0 0 0 0 0 0 0999 V2000 -0.2317 -4.0983 1.1618 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -0.8158 -1.4347 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.6943 -0.4406 0.8922 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 0.8821 -0.7083 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 0.8601 -0.2682 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1539 0.6659 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4929 1.7105 -1.5171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 0.0308 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8843 1.0742 -1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 1.4915 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7741 0.2524 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 0.5666 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4027 0.1380 1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 1.1664 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 0.4402 0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1172 -1.0338 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5048 1.1448 0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -1.6923 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 0.6395 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 -1.8003 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 2.2782 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0608 -3.0828 -0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8467 1.2909 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -3.1840 0.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9286 2.9149 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0249 -3.8239 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0051 2.4248 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 1.6070 1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5568 -0.0402 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0944 1.8098 -2.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5765 2.7227 -1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4665 -0.9842 0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8940 -0.0563 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5338 1.7472 -2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8225 0.1283 -2.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 2.4719 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 1.6614 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7377 -0.7349 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4324 0.8682 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6376 0.4320 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 -0.3634 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5176 1.1207 1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8536 -0.5121 1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 2.2502 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5823 -1.3257 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3833 -1.3770 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 2.6779 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 -3.6060 -1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7051 0.9208 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0530 3.7914 1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 -4.9004 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 2.9204 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 3 45 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 27 1 0 0 0 0 23 49 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 M END > DB01624 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WFPIAZLQTJBIFN-DVZOWYKESA-N/SDF?record_type=3d > OCCN1CCN(CC\C=C2\C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1 > InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5- > WFPIAZLQTJBIFN-DVZOWYKESA-N > C22H25ClN2OS > 400.965 > 400.137611829 > 3 > 52 > 1.9958485843579985 > 45.290122887940285 > 1 > 1 > 0 > 1 > 2-(4-{3-[(9Z)-2-chloro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol > 4.46 > 4.22298393 > -5.19 > 0 > 1 > 4 > 1 > 15.593097839126463 > 8.027568302243756 > 26.71 > 127.00030000000002 > 5 > 1 > 2.60e-03 g/l > zuclopenthixol > 1 $$$$