5743585 -OEChem-10051722003D 39 40 0 1 0 0 0 0 0999 V2000 0.2476 -0.1158 -1.1467 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 -2.7443 0.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1294 0.9078 0.4494 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 -0.2608 -1.4464 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 0.0537 -0.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0748 -2.1728 0.4049 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 0.5435 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6249 1.1673 -1.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 1.4712 1.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 2.1154 -0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 2.6322 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 -0.8683 -0.9933 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2453 -2.0346 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9872 -1.2567 -0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -3.2286 1.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -1.2098 0.2118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1448 -0.1639 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 2.0317 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7874 3.1329 1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0057 1.1106 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8032 -0.2754 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 0.7763 -2.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7235 1.7587 -1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6233 1.8591 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 0.9025 1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6569 1.5914 -0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8274 2.9591 -1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 3.2235 0.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 3.2982 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -1.2699 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2201 -3.8647 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 -3.8489 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8694 -2.7819 2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -1.9097 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9567 1.7319 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 2.3881 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 4.0098 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7410 3.4302 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1385 2.7854 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 13 2 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 14 16 2 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END > DB08982 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZCKKHYXUQFTBIK-KTKRTIGZSA-N/SDF?record_type=3d > [H]\C(C(=O)OCC)=C1\SC(N2CCCCC2)C(=O)N1C > InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3/b10-9- > ZCKKHYXUQFTBIK-KTKRTIGZSA-N > C13H20N2O3S > 284.37 > 284.119463686 > 3 > 39 > 30.34893326566953 > 1 > 0 > 0 > 1 > ethyl 2-[(2Z)-3-methyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]acetate > 2.27 > 1.9228851623333327 > -1.70 > 0 > 2 > 0 > 5.3464064464534165 > 49.85000000000001 > 85.49699999999999 > 4 > 1 > 5.63e+00 g/l > ethyl [(2Z)-3-methyl-4-oxo-5-(piperidin-1-yl)-1,3-thiazolidin-2-ylidene]acetate > 0 $$$$