27901 -OEChem-10051720433D 42 44 0 1 0 0 0 0 0999 V2000 -3.8990 -0.7162 0.8466 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9285 -0.8303 -0.2535 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1325 -0.0869 0.6131 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0522 -0.8435 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -0.3266 -1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 -0.7275 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 -1.0043 -1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4054 -1.3936 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 -0.7535 1.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2672 1.2555 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2144 -1.4403 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3238 -1.2674 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8494 1.5960 -0.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 2.2745 1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2558 -2.1525 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 2.9341 -1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0423 3.6126 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 3.9424 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5447 -2.3951 -1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 -1.6775 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 -1.9037 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8373 0.7516 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.5112 -1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 -1.1900 2.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.3239 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 -2.0696 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3751 -0.5560 -2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1263 -1.2297 1.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 -2.4780 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -0.0741 2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -1.6098 1.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 -0.9857 -1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1302 -2.5208 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9438 -1.2677 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2062 0.8237 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6243 2.0354 2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 -2.6151 -0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 3.1909 -2.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 4.3979 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6448 4.9843 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 -3.0622 -1.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5886 -1.6718 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 4 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 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 12 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END > DB04826 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KLOHYVOVXOUKQI-UHFFFAOYSA-N/SDF?record_type=3d > CN1CCC(CC1)N(CC1=CC=CS1)C1=CC=CC=C1 > InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3 > KLOHYVOVXOUKQI-UHFFFAOYSA-N > C17H22N2S > 286.435 > 286.150369404 > 2 > 42 > 32.88829160533906 > 1 > 0 > 0 > 1 > 1-methyl-N-phenyl-N-[(thiophen-2-yl)methyl]piperidin-4-amine > 4.47 > 3.7454502919999992 > -3.51 > 0 > 3 > 1 > 8.687962205159312 > 6.48 > 87.44020000000003 > 4 > 1 > 8.83e-02 g/l > thenalidine > 1 $$$$