25134249 -OEChem-10051721083D 44 45 0 0 0 0 0 0 0999 V2000 8.0642 -1.8319 -0.2640 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 0.6266 1.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 0.7937 -0.3951 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 0.8457 -0.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0632 1.5078 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1336 0.4917 1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 2.4605 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 -0.1937 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6772 1.7096 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4798 0.1233 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7261 -0.3547 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 0.4588 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 -0.2174 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 -1.6324 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8401 0.4802 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5464 -0.6519 0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9207 -2.0753 0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9944 0.0373 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4644 -1.3375 -0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0345 -1.2405 0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 2.0932 1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 1.0084 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 -0.2687 1.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 3.1102 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 3.1154 0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.8401 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -0.8412 0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 2.4579 -1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 1.1699 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 -0.7046 -1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 0.8168 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.6044 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 0.4830 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6648 -1.0904 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 0.2299 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3665 -1.3298 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 -2.3025 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 1.4789 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6599 -0.6662 -1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9784 -2.2340 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9536 -3.0716 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8617 0.6874 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9335 -1.5856 1.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5659 -2.3677 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 44 1 0 0 0 0 2 12 2 0 0 0 0 3 8 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 12 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 37 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 43 1 0 0 0 0 M END > DB07734 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XNIXPLIQGKQSIE-UHFFFAOYSA-N/SDF?record_type=3d > SCCCC(=O)NC1CCN(CC2=CC=CC=C2)CC1 > InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19) > XNIXPLIQGKQSIE-UHFFFAOYSA-N > C16H24N2OS > 292.44 > 292.16093409 > 2 > 44 > 0.9709159039091618 > 34.366457326841875 > 1 > 2 > 0 > 1 > N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide > 2.41 > 1.7531036776799 > -3.73 > 0 > 1 > 2 > 1 > 16.10423376277035 > 10.206010038864514 > 8.5334079041525 > 32.34 > 86.6115 > 6 > 1 > 5.39e-02 g/l > biotin > 1 $$$$