1453694 -OEChem-10051721213D 41 44 0 0 0 0 0 0 0999 V2000 3.3722 -1.9488 1.6879 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0338 -0.3016 0.1795 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4405 2.3719 0.7564 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 1.0144 -1.8047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 1.6098 -0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 0.3351 -0.0748 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 1.7259 0.6621 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0846 1.9457 0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 1.9893 -1.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7976 1.0910 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.4431 -1.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 1.5673 1.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5320 1.4793 0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8886 0.9498 -0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6403 0.1097 0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 0.5307 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0957 -1.2813 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3571 -0.5081 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 -2.1379 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4838 -3.3820 -0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0731 -1.7563 -0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 -3.4142 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2449 -2.5510 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3815 -1.8816 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 2.9733 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 2.6656 -1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4469 0.9923 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 0.0400 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4161 1.1339 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3821 2.4127 -2.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 3.4782 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 2.5893 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8382 0.9431 1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6767 0.5489 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6902 0.0840 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -1.9018 -1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3713 -4.2115 -1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0768 -2.0972 -0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5498 -4.2282 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 -3.5622 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3994 -2.2449 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 24 1 0 0 0 0 3 7 1 0 0 0 0 3 13 1 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 13 2 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > DB08471 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SJEVDMFUHCVNPM-UHFFFAOYSA-N/SDF?record_type=3d > O=C(CC1=CC=CS1)N1CCC(CC1)C1=NC(=NO1)C1=CC=CS1 > InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2 > SJEVDMFUHCVNPM-UHFFFAOYSA-N > C17H17N3O2S2 > 359.466 > 359.076218183 > 3 > 41 > 1.0410912482230303e-09 > 38.33236944057212 > 1 > 0 > 0 > 1 > 2-(thiophen-2-yl)-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethan-1-one > 3.58 > 3.4510870513333325 > -3.64 > 0 > 0 > 4 > 0 > -1.9787957516628958 > 59.230000000000004 > 105.02510000000002 > 4 > 1 > 8.25e-02 g/l > biotin > 0 $$$$